(1R,2S)-4-oxidanylidene-2-(phenylsulfonyl)cyclohexane-1-carbonitrile

Systemtic Name: (1R,2S)-4-oxidanylidene-2-(phenylsulfonyl)cyclohexane-1-carbonitrile Openeye Name: (1R,2S)-2-(benzenesulfonyl)-4-oxo-cyclohexanecarbonitrile CAS Name: (1R,2S)-2-(benzenesulfonyl)-4-oxo-1-cyclohexanecarbonitrile IUPAC Name: (1R,2S)-2-(benzenesulfonyl)-4-oxocyclohexane-1-carbonitrile Traditional Name: (1R,2S)-2-besyl-4-keto-cyclohexanecarbonitrile Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CC(C1C#N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CC(=O)C[C@@H]([C@H]1C#N)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H13NO3S/c14-9-10-6-7-11(15)8-13(10)18(16,17)12-4-2-1-3-5-12/h1-5,10,13H,6-8H2/t10-,13+/m1/s1