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NBB : Summary
Code
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NBB
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One-letter code
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X
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Molecule name
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N-BUTYL-BENZENESULFONAMIDE
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Systematic names
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Formula
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C10 H15 N O2 S
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Formal charge
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0
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Molecular weight
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213.297 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=S(=O)(NCCCC)c1ccccc1 |
SMILES
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CACTVS |
3.341 |
CCCCN[S](=O)(=O)c1ccccc1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CCCCNS(=O)(=O)c1ccccc1 |
Canonical SMILES
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CACTVS |
3.341 |
CCCCN[S](=O)(=O)c1ccccc1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CCCCNS(=O)(=O)c1ccccc1 |
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IUPAC InChI | InChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3 |
IUPAC InChI key | IPRJXAGUEGOFGG-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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29 (14 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2003-10-14
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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