4-[(4-ethoxycarbonylphenyl)amino]-2-ethyl-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 4-[(4-ethoxycarbonylphenyl)amino]-2-ethyl-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 3-(benzylamino)-4-(4-ethoxycarbonylanilino)-2-ethyl-5-sulfamoyl-benzoic acid CAS Name: 4-(4-ethoxycarbonylanilino)-2-ethyl-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 3-(benzylamino)-4-(4-ethoxycarbonylanilino)-2-ethyl-5-sulfamoylbenzoic acid Traditional Name: 3-(benzylamino)-4-(4-carbethoxyanilino)-2-ethyl-5-sulfamoyl-benzoic acid Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1C(=O)O)S(=O)(=O)N)NC2=CC=C(C=C2)C(=O)OCC)NCC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=C(C=C1C(=O)O)S(=O)(=O)N)NC2=CC=C(C=C2)C(=O)OCC)NCC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O6S/c1-3-19-20(24(29)30)14-21(35(26,32)33)23(22(19)27-15-16-8-6-5-7-9-16)28-18-12-10-17(11-13-18)25(31)34-4-2/h5-14,27-28H,3-4,15H2,1-2H3,(H,29,30)(H2,26,32,33)