[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)sulfonylamino]ethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)sulfonylamino]ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate CAS Name: 2-[(4-fluorophenyl)sulfonylamino]acetic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-fluorophenyl)sulfonylamino]acetic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C18H22FN3O5S MolecularWeight: 411.447783

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)CNS(=O)(=O)C1=CC=C(C=C1)F)C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CNS(=O)(=O)C1=CC=C(C=C1)F)C2(CCCCC2)C#N

InChI

InChI=1S/C18H22FN3O5S/c1-22(18(13-20)9-3-2-4-10-18)16(23)12-27-17(24)11-21-28(25,26)15-7-5-14(19)6-8-15/h5-8,21H,2-4,9-12H2,1H3