3,4-bis[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 3,4-bis[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 3,4-bis(benzylamino)-5-sulfamoyl-benzoic acid CAS Name: 3,4-bis[(phenylmethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 3,4-bis(benzylamino)-5-sulfamoylbenzoic acid Traditional Name: 3,4-bis(benzylamino)-5-sulfamoyl-benzoic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)NCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)NCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c22-29(27,28)19-12-17(21(25)26)11-18(23-13-15-7-3-1-4-8-15)20(19)24-14-16-9-5-2-6-10-16/h1-12,23-24H,13-14H2,(H,25,26)(H2,22,27,28)