3-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 3-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]benzoic acid Openeye Name: 3-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[4-(1-azepanylsulfonyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 3-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]benzoic acid Formula: C19H22N2O6S2 MolecularWeight: 438.51778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H22N2O6S2/c22-19(23)15-6-5-7-18(14-15)28(24,25)20-16-8-10-17(11-9-16)29(26,27)21-12-3-1-2-4-13-21/h5-11,14,20H,1-4,12-13H2,(H,22,23)