[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)cyclopentane-1-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 1-(benzenesulfonyl)cyclopentanecarboxylate CAS Name: 1-(benzenesulfonyl)-1-cyclopentanecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1-(benzenesulfonyl)cyclopentane-1-carboxylate Traditional Name: 1-besylcyclopentanecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2(CCCC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2(CCCC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O5S/c22-16-20(11-5-2-6-12-20)23-18(24)15-28-19(25)21(13-7-8-14-21)29(26,27)17-9-3-1-4-10-17/h1,3-4,9-10H,2,5-8,11-15H2,(H,23,24)