(E)-2-(4-chlorophenyl)sulfonyl-3-[4-(phenylmethyl)piperidin-1-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(4-chlorophenyl)sulfonyl-3-[4-(phenylmethyl)piperidin-1-yl]prop-2-enenitrile Openeye Name: (E)-3-(4-benzyl-1-piperidyl)-2-(4-chlorophenyl)sulfonyl-prop-2-enenitrile CAS Name: (E)-2-(4-chlorophenyl)sulfonyl-3-[4-(phenylmethyl)-1-piperidinyl]-2-propenenitrile IUPAC Name: (E)-3-(4-benzylpiperidin-1-yl)-2-(4-chlorophenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(4-benzylpiperidino)-2-(4-chlorophenyl)sulfonyl-acrylonitrile Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)/C=C(\C#N)/S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O2S/c22-19-6-8-20(9-7-19)27(25,26)21(15-23)16-24-12-10-18(11-13-24)14-17-4-2-1-3-5-17/h1-9,16,18H,10-14H2/b21-16+