[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 4-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O5S/c1-21(19(14-20)10-4-3-5-11-19)17(22)12-26-18(23)16-8-6-15(7-9-16)13-27(2,24)25/h6-9H,3-5,10-13H2,1-2H3