methyl 2-[[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCC#N)CCC#N)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCC#N)CCC#N)C

InChI

InChI=1S/C21H22N4O5S2/c1-14-15(2)31-20(18(14)21(27)30-3)24-19(26)16-6-8-17(9-7-16)32(28,29)25(12-4-10-22)13-5-11-23/h6-9H,4-5,12-13H2,1-3H3,(H,24,26)