[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-(3-chloro-N-methylsulfonyl-anilino)acetate CAS Name: 2-(3-chloro-N-methylsulfonylanilino)acetic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(3-chloro-N-methylsulfonylanilino)acetate Traditional Name: 2-(3-chloro-N-mesyl-anilino)acetic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C17H20ClN3O5S MolecularWeight: 413.8758

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)OCC(=O)NC1(CCCC1)C#N)C2=CC(=CC=C2)Cl

Isomeric SMILES

CS(=O)(=O)N(CC(=O)OCC(=O)NC1(CCCC1)C#N)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H20ClN3O5S/c1-27(24,25)21(14-6-4-5-13(18)9-14)10-16(23)26-11-15(22)20-17(12-19)7-2-3-8-17/h4-6,9H,2-3,7-8,10-11H2,1H3,(H,20,22)