(1R,2R)-N-(cyanomethyl)-2-[2-(4-methylsulfonylphenyl)phenyl]cyclohexane-1-carboxamide

Systemtic Name: (1R,2R)-N-(cyanomethyl)-2-[2-(4-methylsulfonylphenyl)phenyl]cyclohexane-1-carboxamide Openeye Name: (1R,2R)-N-(cyanomethyl)-2-[2-(4-methylsulfonylphenyl)phenyl]cyclohexanecarboxamide CAS Name: (1R,2R)-N-(cyanomethyl)-2-[2-(4-methylsulfonylphenyl)phenyl]-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-N-(cyanomethyl)-2-[2-(4-methylsulfonylphenyl)phenyl]cyclohexane-1-carboxamide Traditional Name: (1R,2R)-N-(cyanomethyl)-2-[2-(4-mesylphenyl)phenyl]cyclohexanecarboxamide Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2C3CCCCC3C(=O)NCC#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2[C@@H]3CCCC[C@H]3C(=O)NCC#N

InChI

InChI=1S/C22H24N2O3S/c1-28(26,27)17-12-10-16(11-13-17)18-6-2-3-7-19(18)20-8-4-5-9-21(20)22(25)24-15-14-23/h2-3,6-7,10-13,20-21H,4-5,8-9,15H2,1H3,(H,24,25)/t20-,21+/m0/s1