[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 3-(benzylsulfamoyl)-4-chloro-benzoate CAS Name: 4-chloro-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)-4-chlorobenzoate Traditional Name: 3-(benzylsulfamoyl)-4-chloro-benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H16ClN3O5S2 MolecularWeight: 489.95184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN3O5S2/c22-17-7-6-15(10-18(17)32(28,29)24-12-14-4-2-1-3-5-14)21(27)30-13-19(26)25-20-16(11-23)8-9-31-20/h1-10,24H,12-13H2,(H,25,26)