[2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl] 3-(benzylsulfamoyl)benzoate CAS Name: 3-[(phenylmethyl)sulfamoyl]benzoic acid [2-[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate Traditional Name: 3-(benzylsulfamoyl)benzoic acid [2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C23H21N3O5S2 MolecularWeight: 483.55994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C23H21N3O5S2/c1-15-16(2)32-22(20(15)12-24)26-21(27)14-31-23(28)18-9-6-10-19(11-18)33(29,30)25-13-17-7-4-3-5-8-17/h3-11,25H,13-14H2,1-2H3,(H,26,27)