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

Systemtic Name: 4-phenylazanyl-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 4-anilino-3-(benzylamino)-5-sulfamoyl-benzoic acid CAS Name: 4-anilino-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 4-anilino-3-(benzylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-anilino-3-(benzylamino)-5-sulfamoyl-benzoic acid Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)NC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O4S/c21-28(26,27)18-12-15(20(24)25)11-17(22-13-14-7-3-1-4-8-14)19(18)23-16-9-5-2-6-10-16/h1-12,22-23H,13H2,(H,24,25)(H2,21,26,27)