[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-fluorophenyl)sulfonyl-methylamino]acetic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C17H20FN3O5S MolecularWeight: 397.421203

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC(=O)NC1(CCCC1)C#N)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CN(CC(=O)OCC(=O)NC1(CCCC1)C#N)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H20FN3O5S/c1-21(27(24,25)14-6-4-13(18)5-7-14)10-16(23)26-11-15(22)20-17(12-19)8-2-3-9-17/h4-7H,2-3,8-11H2,1H3,(H,20,22)