[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)sulfamoyl]benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)sulfamoyl]benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 3-[(4-chlorophenyl)sulfamoyl]benzoate CAS Name: 3-[(4-chlorophenyl)sulfamoyl]benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-[(4-chlorophenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-chlorophenyl)sulfamoyl]benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN3O5S/c22-16-6-8-17(9-7-16)25-31(28,29)18-5-3-4-15(12-18)20(27)30-13-19(26)24-21(14-23)10-1-2-11-21/h3-9,12,25H,1-2,10-11,13H2,(H,24,26)