[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-(methylsulfamoyl)benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-(methylsulfamoyl)benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-chloro-5-(methylsulfamoyl)benzoate CAS Name: 2-chloro-5-(methylsulfamoyl)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate Traditional Name: 2-chloro-5-(methylsulfamoyl)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C16H18ClN3O5S MolecularWeight: 399.84922

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C16H18ClN3O5S/c1-19-26(23,24)11-4-5-13(17)12(8-11)15(22)25-9-14(21)20-16(10-18)6-2-3-7-16/h4-5,8,19H,2-3,6-7,9H2,1H3,(H,20,21)