4-phenyl-2-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 4-phenyl-2-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 2-(benzylamino)-4-phenyl-5-sulfamoyl-benzoic acid CAS Name: 4-phenyl-2-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 2-(benzylamino)-4-phenyl-5-sulfamoylbenzoic acid Traditional Name: 2-(benzylamino)-4-phenyl-5-sulfamoyl-benzoic acid Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O4S/c21-27(25,26)19-12-17(20(23)24)18(22-13-14-7-3-1-4-8-14)11-16(19)15-9-5-2-6-10-15/h1-12,22H,13H2,(H,23,24)(H2,21,25,26)