(2E)-2-(5,5-dimethyl-3-pyrrolidin-1-yl-cyclohex-2-en-1-ylidene)-2-(phenylsulfonyl)ethanenitrile

Systemtic Name: (2E)-2-(5,5-dimethyl-3-pyrrolidin-1-yl-cyclohex-2-en-1-ylidene)-2-(phenylsulfonyl)ethanenitrile Openeye Name: (2E)-2-(benzenesulfonyl)-2-(5,5-dimethyl-3-pyrrolidin-1-yl-cyclohex-2-en-1-ylidene)acetonitrile CAS Name: (2E)-2-(benzenesulfonyl)-2-[5,5-dimethyl-3-(1-pyrrolidinyl)-1-cyclohex-2-enylidene]acetonitrile IUPAC Name: (2E)-2-(benzenesulfonyl)-2-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)acetonitrile Traditional Name: (2E)-2-besyl-2-(5,5-dimethyl-3-pyrrolidino-cyclohex-2-en-1-ylidene)acetonitrile Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=C(C#N)S(=O)(=O)C2=CC=CC=C2)C1)N3CCCC3)C

Isomeric SMILES

CC1(CC(=C/C(=C(\C#N)/S(=O)(=O)C2=CC=CC=C2)/C1)N3CCCC3)C

InChI

InChI=1S/C20H24N2O2S/c1-20(2)13-16(12-17(14-20)22-10-6-7-11-22)19(15-21)25(23,24)18-8-4-3-5-9-18/h3-5,8-9,12H,6-7,10-11,13-14H2,1-2H3/b19-16-