2-(azepan-1-yl)-5-sulfamoyl-benzoic acid

Systemtic Name: 2-(azepan-1-yl)-5-sulfamoyl-benzoic acid Openeye Name: 2-(azepan-1-yl)-5-sulfamoyl-benzoic acid CAS Name: 2-(1-azepanyl)-5-sulfamoylbenzoic acid IUPAC Name: 2-(azepan-1-yl)-5-sulfamoylbenzoic acid Traditional Name: 2-(azepan-1-yl)-5-sulfamoyl-benzoic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C13H18N2O4S/c14-20(18,19)10-5-6-12(11(9-10)13(16)17)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H,16,17)(H2,14,18,19)