4-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid Openeye Name: 4-[[4-[benzyl(methyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid CAS Name: 4-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[4-[benzyl(methyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid Traditional Name: 4-[[4-[benzyl(methyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid Formula: C21H20N2O6S2 MolecularWeight: 460.5233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H20N2O6S2/c1-23(15-16-5-3-2-4-6-16)31(28,29)20-13-9-18(10-14-20)22-30(26,27)19-11-7-17(8-12-19)21(24)25/h2-14,22H,15H2,1H3,(H,24,25)