4-[methyl(phenyl)amino]-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid

Systemtic Name: 4-[methyl(phenyl)amino]-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid Openeye Name: 4-(N-methylanilino)-5-sulfamoyl-2-(2-thienylmethylamino)benzoic acid CAS Name: 4-(N-methylanilino)-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid IUPAC Name: 4-(N-methylanilino)-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid Traditional Name: 4-(N-methylanilino)-5-sulfamoyl-2-(2-thenylamino)benzoic acid Formula: C19H19N3O4S2 MolecularWeight: 417.50186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=C(C=C(C(=C2)NCC3=CC=CS3)C(=O)O)S(=O)(=O)N

Isomeric SMILES

CN(C1=CC=CC=C1)C2=C(C=C(C(=C2)NCC3=CC=CS3)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C19H19N3O4S2/c1-22(13-6-3-2-4-7-13)17-11-16(21-12-14-8-5-9-27-14)15(19(23)24)10-18(17)28(20,25)26/h2-11,21H,12H2,1H3,(H,23,24)(H2,20,25,26)