[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methylphenyl)sulfonylamino]ethanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methylphenyl)sulfonylamino]ethanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-(p-tolylsulfonylamino)acetate CAS Name: 2-[(4-methylphenyl)sulfonylamino]acetic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-(tosylamino)acetic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C17H21N3O5S/c1-13-4-6-14(7-5-13)26(23,24)19-10-16(22)25-11-15(21)20-17(12-18)8-2-3-9-17/h4-7,19H,2-3,8-11H2,1H3,(H,20,21)