(E)-3-methylsulfanyl-2-(phenylsulfonyl)-3-piperidin-1-yl-prop-2-enenitrile

Systemtic Name: (E)-3-methylsulfanyl-2-(phenylsulfonyl)-3-piperidin-1-yl-prop-2-enenitrile Openeye Name: (E)-2-(benzenesulfonyl)-3-methylsulfanyl-3-(1-piperidyl)prop-2-enenitrile CAS Name: (E)-2-(benzenesulfonyl)-3-(methylthio)-3-(1-piperidinyl)-2-propenenitrile IUPAC Name: (E)-2-(benzenesulfonyl)-3-methylsulfanyl-3-piperidin-1-ylprop-2-enenitrile Traditional Name: (E)-2-besyl-3-(methylthio)-3-piperidino-acrylonitrile Formula: C15H18N2O2S2 MolecularWeight: 322.44562

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)S(=O)(=O)C1=CC=CC=C1)N2CCCCC2

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2S2/c1-20-15(17-10-6-3-7-11-17)14(12-16)21(18,19)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11H2,1H3/b15-14+