(Z)-2-(2,5-dimethylphenyl)sulfonyl-3-methylsulfanyl-3-piperidin-1-yl-prop-2-enenitrile

Systemtic Name: (Z)-2-(2,5-dimethylphenyl)sulfonyl-3-methylsulfanyl-3-piperidin-1-yl-prop-2-enenitrile Openeye Name: (Z)-2-(2,5-dimethylphenyl)sulfonyl-3-methylsulfanyl-3-(1-piperidyl)prop-2-enenitrile CAS Name: (Z)-2-(2,5-dimethylphenyl)sulfonyl-3-(methylthio)-3-(1-piperidinyl)-2-propenenitrile IUPAC Name: (Z)-2-(2,5-dimethylphenyl)sulfonyl-3-methylsulfanyl-3-piperidin-1-ylprop-2-enenitrile Traditional Name: (Z)-2-(2,5-dimethylphenyl)sulfonyl-3-(methylthio)-3-piperidino-acrylonitrile Formula: C17H22N2O2S2 MolecularWeight: 350.49878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)C(=C(N2CCCCC2)SC)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)/C(=C(/N2CCCCC2)\SC)/C#N

InChI

InChI=1S/C17H22N2O2S2/c1-13-7-8-14(2)15(11-13)23(20,21)16(12-18)17(22-3)19-9-5-4-6-10-19/h7-8,11H,4-6,9-10H2,1-3H3/b17-16-