N-(cyanomethyl)-2-[2-(4-methylsulfonylphenyl)ethynyl]cyclohexane-1-carboxamide

Systemtic Name: N-(cyanomethyl)-2-[2-(4-methylsulfonylphenyl)ethynyl]cyclohexane-1-carboxamide Openeye Name: N-(cyanomethyl)-2-[2-(4-methylsulfonylphenyl)ethynyl]cyclohexanecarboxamide CAS Name: N-(cyanomethyl)-2-[2-(4-methylsulfonylphenyl)ethynyl]-1-cyclohexanecarboxamide IUPAC Name: N-(cyanomethyl)-2-[2-(4-methylsulfonylphenyl)ethynyl]cyclohexane-1-carboxamide Traditional Name: N-(cyanomethyl)-2-[2-(4-mesylphenyl)ethynyl]cyclohexanecarboxamide Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C#CC2CCCCC2C(=O)NCC#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C#CC2CCCCC2C(=O)NCC#N

InChI

InChI=1S/C18H20N2O3S/c1-24(22,23)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,2-5,13H2,1H3,(H,20,21)