VJP
1-[(4-aminophenyl)sulfonyl]piperidin-2-one
Created: | 2014-07-02 |
Last modified: | 2015-03-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 31 |
Chiral Atom Count | 0 |
Bond Count | 32 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 1-[(4-aminophenyl)sulfonyl]piperidin-2-one |
Systematic Name (OpenEye OEToolkits) | 1-(4-aminophenyl)sulfonylpiperidin-2-one |
Formula | C11 H14 N2 O3 S |
Molecular Weight | 254.305 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2N(S(=O)(=O)c1ccc(N)cc1)CCCC2 |
SMILES | CACTVS | 3.385 | Nc1ccc(cc1)[S](=O)(=O)N2CCCCC2=O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1N)S(=O)(=O)N2CCCCC2=O |
Canonical SMILES | CACTVS | 3.385 | Nc1ccc(cc1)[S](=O)(=O)N2CCCCC2=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1N)S(=O)(=O)N2CCCCC2=O |
InChI | InChI | 1.03 | InChI=1S/C11H14N2O3S/c12-9-4-6-10(7-5-9)17(15,16)13-8-2-1-3-11(13)14/h4-7H,1-3,8,12H2 |
InChIKey | InChI | 1.03 | OWUDZSOVUCVZKR-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 90657104 |
ChEMBL | CHEMBL3414694 |