(1R,6R)-N-(cyanomethyl)-6-[(4-fluorophenyl)sulfonylmethyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: (1R,6R)-N-(cyanomethyl)-6-[(4-fluorophenyl)sulfonylmethyl]cyclohex-3-ene-1-carboxamide Openeye Name: (1R,6R)-N-(cyanomethyl)-6-[(4-fluorophenyl)sulfonylmethyl]cyclohex-3-ene-1-carboxamide CAS Name: (1R,6R)-N-(cyanomethyl)-6-[(4-fluorophenyl)sulfonylmethyl]-1-cyclohex-3-enecarboxamide IUPAC Name: (1R,6R)-N-(cyanomethyl)-6-[(4-fluorophenyl)sulfonylmethyl]cyclohex-3-ene-1-carboxamide Traditional Name: (1R,6R)-N-(cyanomethyl)-6-[(4-fluorophenyl)sulfonylmethyl]cyclohex-3-ene-1-carboxamide Formula: C16H17FN2O3S MolecularWeight: 336.381183

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1CS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC#N

Isomeric SMILES

C1C=CC[C@H]([C@@H]1CS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC#N

InChI

InChI=1S/C16H17FN2O3S/c17-13-5-7-14(8-6-13)23(21,22)11-12-3-1-2-4-15(12)16(20)19-10-9-18/h1-2,5-8,12,15H,3-4,10-11H2,(H,19,20)/t12-,15+/m0/s1