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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1C(=O)NCC#N)S(=O)(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC([C@@H]1CCCC[C@H]1C(=O)NCC#N)S(=O)(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C18H24N2O3S2/c1-13(25(22,23)15-9-7-14(24-2)8-10-15)16-5-3-4-6-17(16)18(21)20-12-11-19/h7-10,13,16-17H,3-6,12H2,1-2H3,(H,20,21)/t13?,16-,17+/m0/s1