(1R,2S)-N-(cyanomethyl)-2-[2-(4-methylsulfanylphenyl)sulfonylethyl]cyclohexane-1-carboxamide

Systemtic Name: (1R,2S)-N-(cyanomethyl)-2-[2-(4-methylsulfanylphenyl)sulfonylethyl]cyclohexane-1-carboxamide Openeye Name: (1R,2S)-N-(cyanomethyl)-2-[2-(4-methylsulfanylphenyl)sulfonylethyl]cyclohexanecarboxamide CAS Name: (1R,2S)-N-(cyanomethyl)-2-[2-[4-(methylthio)phenyl]sulfonylethyl]-1-cyclohexanecarboxamide IUPAC Name: (1R,2S)-N-(cyanomethyl)-2-[2-(4-methylsulfanylphenyl)sulfonylethyl]cyclohexane-1-carboxamide Traditional Name: (1R,2S)-N-(cyanomethyl)-2-[2-[4-(methylthio)phenyl]sulfonylethyl]cyclohexanecarboxamide Formula: C18H24N2O3S2 MolecularWeight: 380.52476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)CCC2CCCCC2C(=O)NCC#N

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)CC[C@@H]2CCCC[C@H]2C(=O)NCC#N

InChI

InChI=1S/C18H24N2O3S2/c1-24-15-6-8-16(9-7-15)25(22,23)13-10-14-4-2-3-5-17(14)18(21)20-12-11-19/h6-9,14,17H,2-5,10,12-13H2,1H3,(H,20,21)/t14-,17+/m0/s1