3-[(4-methylphenyl)methylamino]-5-sulfamoyl-4-thiophen-2-yl-benzoic acid

Systemtic Name: 3-[(4-methylphenyl)methylamino]-5-sulfamoyl-4-thiophen-2-yl-benzoic acid Openeye Name: 3-(p-tolylmethylamino)-5-sulfamoyl-4-(2-thienyl)benzoic acid CAS Name: 3-[(4-methylphenyl)methylamino]-5-sulfamoyl-4-thiophen-2-ylbenzoic acid IUPAC Name: 3-[(4-methylphenyl)methylamino]-5-sulfamoyl-4-thiophen-2-ylbenzoic acid Traditional Name: 3-[(4-methylbenzyl)amino]-5-sulfamoyl-4-(2-thienyl)benzoic acid Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)C3=CC=CS3

InChI

InChI=1S/C19H18N2O4S2/c1-12-4-6-13(7-5-12)11-21-15-9-14(19(22)23)10-17(27(20,24)25)18(15)16-3-2-8-26-16/h2-10,21H,11H2,1H3,(H,22,23)(H2,20,24,25)