(1R,2R)-N-(cyanomethyl)-2-(pyridin-4-ylsulfonylmethyl)cyclohexane-1-carboxamide

Systemtic Name: (1R,2R)-N-(cyanomethyl)-2-(pyridin-4-ylsulfonylmethyl)cyclohexane-1-carboxamide Openeye Name: (1R,2R)-N-(cyanomethyl)-2-(4-pyridylsulfonylmethyl)cyclohexanecarboxamide CAS Name: (1R,2R)-N-(cyanomethyl)-2-(pyridin-4-ylsulfonylmethyl)-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-N-(cyanomethyl)-2-(pyridin-4-ylsulfonylmethyl)cyclohexane-1-carboxamide Traditional Name: (1R,2R)-N-(cyanomethyl)-2-(4-pyridylsulfonylmethyl)cyclohexanecarboxamide Formula: C15H19N3O3S MolecularWeight: 321.39466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CS(=O)(=O)C2=CC=NC=C2)C(=O)NCC#N

Isomeric SMILES

C1CC[C@H]([C@@H](C1)CS(=O)(=O)C2=CC=NC=C2)C(=O)NCC#N

InChI

InChI=1S/C15H19N3O3S/c16-7-10-18-15(19)14-4-2-1-3-12(14)11-22(20,21)13-5-8-17-9-6-13/h5-6,8-9,12,14H,1-4,10-11H2,(H,18,19)/t12-,14+/m0/s1