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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC(=O)NC1(CCCCC1)C#N)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CN(CC(=O)OCC(=O)NC1(CCCCC1)C#N)S(=O)(=O)C2=CC=C(C=C2)F

InChI

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