[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 3-(benzylsulfamoyl)benzoate CAS Name: 3-[(phenylmethyl)sulfamoyl]benzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate Traditional Name: 3-(benzylsulfamoyl)benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H17N3O5S2 MolecularWeight: 455.50678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C21H17N3O5S2/c22-12-17-9-10-30-20(17)24-19(25)14-29-21(26)16-7-4-8-18(11-16)31(27,28)23-13-15-5-2-1-3-6-15/h1-11,23H,13-14H2,(H,24,25)