3-[(2-oxidanylideneazepan-3-yl)sulfamoyl]benzoic acid

Systemtic Name: 3-[(2-oxidanylideneazepan-3-yl)sulfamoyl]benzoic acid Openeye Name: 3-[(2-oxoazepan-3-yl)sulfamoyl]benzoic acid CAS Name: 3-[(2-oxo-3-azepanyl)sulfamoyl]benzoic acid IUPAC Name: 3-[(2-oxoazepan-3-yl)sulfamoyl]benzoic acid Traditional Name: 3-[(2-ketoazepan-3-yl)sulfamoyl]benzoic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CCNC(=O)C(C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H16N2O5S/c16-12-11(6-1-2-7-14-12)15-21(19,20)10-5-3-4-9(8-10)13(17)18/h3-5,8,11,15H,1-2,6-7H2,(H,14,16)(H,17,18)