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

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C16H17ClN2O5S MolecularWeight: 384.83458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O5S/c1-25(22,23)11-4-5-13(17)12(8-11)15(21)24-9-14(20)19-16(10-18)6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,19,20)