(1R,2R)-N-(cyanomethyl)-2-[(3-methoxyphenyl)sulfanylmethyl]cyclohexane-1-carboxamide

Systemtic Name: (1R,2R)-N-(cyanomethyl)-2-[(3-methoxyphenyl)sulfanylmethyl]cyclohexane-1-carboxamide Openeye Name: (1R,2R)-N-(cyanomethyl)-2-[(3-methoxyphenyl)sulfanylmethyl]cyclohexanecarboxamide CAS Name: (1R,2R)-N-(cyanomethyl)-2-[[(3-methoxyphenyl)thio]methyl]-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-N-(cyanomethyl)-2-[(3-methoxyphenyl)sulfanylmethyl]cyclohexane-1-carboxamide Traditional Name: (1R,2R)-N-(cyanomethyl)-2-[[(3-methoxyphenyl)thio]methyl]cyclohexanecarboxamide Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SCC2CCCCC2C(=O)NCC#N

Isomeric SMILES

COC1=CC(=CC=C1)SC[C@@H]2CCCC[C@H]2C(=O)NCC#N

InChI

InChI=1S/C17H22N2O2S/c1-21-14-6-4-7-15(11-14)22-12-13-5-2-3-8-16(13)17(20)19-10-9-18/h4,6-7,11,13,16H,2-3,5,8,10,12H2,1H3,(H,19,20)/t13-,16+/m0/s1