methyl 3-[[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-phenyl-sulfamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-phenyl-sulfamoyl]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(4-methylanilino)-2-oxo-ethyl]-phenyl-sulfamoyl]thiophene-2-carboxylate CAS Name: 3-[[2-(4-methylanilino)-2-oxoethyl]-phenylsulfamoyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-methylanilino)-2-oxoethyl]-phenylsulfamoyl]thiophene-2-carboxylate Traditional Name: 3-[[2-keto-2-(p-toluidino)ethyl]-phenyl-sulfamoyl]thiophene-2-carboxylic acid methyl ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O5S2/c1-15-8-10-16(11-9-15)22-19(24)14-23(17-6-4-3-5-7-17)30(26,27)18-12-13-29-20(18)21(25)28-2/h3-13H,14H2,1-2H3,(H,22,24)