methyl 3-[2-cyanoethyl-(phenylmethyl)sulfamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-cyanoethyl-(phenylmethyl)sulfamoyl]thiophene-2-carboxylate Openeye Name: methyl 3-[benzyl(2-cyanoethyl)sulfamoyl]thiophene-2-carboxylate CAS Name: 3-[2-cyanoethyl-(phenylmethyl)sulfamoyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[benzyl(2-cyanoethyl)sulfamoyl]thiophene-2-carboxylate Traditional Name: 3-[benzyl(2-cyanoethyl)sulfamoyl]thiophene-2-carboxylic acid methyl ester Formula: C16H16N2O4S2 MolecularWeight: 364.43924

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O4S2/c1-22-16(19)15-14(8-11-23-15)24(20,21)18(10-5-9-17)12-13-6-3-2-4-7-13/h2-4,6-8,11H,5,10,12H2,1H3