4-(naphthalen-2-ylamino)-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(naphthalen-2-ylamino)-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 3-(benzylamino)-4-(2-naphthylamino)-5-sulfamoyl-benzoic acid CAS Name: 4-(2-naphthalenylamino)-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 3-(benzylamino)-4-(naphthalen-2-ylamino)-5-sulfamoylbenzoic acid Traditional Name: 3-(benzylamino)-4-(2-naphthylamino)-5-sulfamoyl-benzoic acid Formula: C24H21N3O4S MolecularWeight: 447.50624

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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=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)NC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H21N3O4S/c25-32(30,31)22-14-19(24(28)29)13-21(26-15-16-6-2-1-3-7-16)23(22)27-20-11-10-17-8-4-5-9-18(17)12-20/h1-14,26-27H,15H2,(H,28,29)(H2,25,30,31)