4-[(2-oxidanylideneazepan-3-yl)sulfamoyl]benzoic acid

Systemtic Name: 4-[(2-oxidanylideneazepan-3-yl)sulfamoyl]benzoic acid Openeye Name: 4-[(2-oxoazepan-3-yl)sulfamoyl]benzoic acid CAS Name: 4-[(2-oxo-3-azepanyl)sulfamoyl]benzoic acid IUPAC Name: 4-[(2-oxoazepan-3-yl)sulfamoyl]benzoic acid Traditional Name: 4-[(2-ketoazepan-3-yl)sulfamoyl]benzoic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5S/c16-12-11(3-1-2-8-14-12)15-21(19,20)10-6-4-9(5-7-10)13(17)18/h4-7,11,15H,1-3,8H2,(H,14,16)(H,17,18)