methyl 3-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-sulfamoyl]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-sulfamoyl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[2-(2,6-dimethylanilino)-2-oxo-ethyl]-methyl-sulfamoyl]benzothiophene-2-carboxylate CAS Name: 3-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-1-benzothiophene-2-carboxylate Traditional Name: 3-[[2-(2,6-dimethylanilino)-2-keto-ethyl]-methyl-sulfamoyl]benzothiophene-2-carboxylic acid methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN(C)S(=O)(=O)C2=C(SC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN(C)S(=O)(=O)C2=C(SC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C21H22N2O5S2/c1-13-8-7-9-14(2)18(13)22-17(24)12-23(3)30(26,27)20-15-10-5-6-11-16(15)29-19(20)21(25)28-4/h5-11H,12H2,1-4H3,(H,22,24)