[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-(methylsulfamoyl)benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-(methylsulfamoyl)benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 4-methoxy-3-(methylsulfamoyl)benzoate CAS Name: 4-methoxy-3-(methylsulfamoyl)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-methoxy-3-(methylsulfamoyl)benzoate Traditional Name: 4-methoxy-3-(methylsulfamoyl)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O6S/c1-19-27(23,24)14-9-12(5-6-13(14)25-2)16(22)26-10-15(21)20-17(11-18)7-3-4-8-17/h5-6,9,19H,3-4,7-8,10H2,1-2H3,(H,20,21)