(1R,2S)-N-(cyanomethyl)-2-[2-(4-methylsulfinylphenyl)ethyl]cyclohexane-1-carboxamide

Systemtic Name: (1R,2S)-N-(cyanomethyl)-2-[2-(4-methylsulfinylphenyl)ethyl]cyclohexane-1-carboxamide Openeye Name: (1R,2S)-N-(cyanomethyl)-2-[2-(4-methylsulfinylphenyl)ethyl]cyclohexanecarboxamide CAS Name: (1R,2S)-N-(cyanomethyl)-2-[2-(4-methylsulfinylphenyl)ethyl]-1-cyclohexanecarboxamide IUPAC Name: (1R,2S)-N-(cyanomethyl)-2-[2-(4-methylsulfinylphenyl)ethyl]cyclohexane-1-carboxamide Traditional Name: (1R,2S)-N-(cyanomethyl)-2-[2-(4-methylsulfinylphenyl)ethyl]cyclohexanecarboxamide Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC=C(C=C1)CCC2CCCCC2C(=O)NCC#N

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O2S/c1-23(22)16-10-7-14(8-11-16)6-9-15-4-2-3-5-17(15)18(21)20-13-12-19/h7-8,10-11,15,17H,2-6,9,13H2,1H3,(H,20,21)/t15-,17+,23?/m0/s1