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

Systemtic Name: (E)-2-(4-methoxyphenyl)sulfonyl-3-[4-(phenylmethyl)piperidin-1-yl]prop-2-enenitrile Openeye Name: (E)-3-(4-benzyl-1-piperidyl)-2-(4-methoxyphenyl)sulfonyl-prop-2-enenitrile CAS Name: (E)-2-(4-methoxyphenyl)sulfonyl-3-[4-(phenylmethyl)-1-piperidinyl]-2-propenenitrile IUPAC Name: (E)-3-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(4-benzylpiperidino)-2-(4-methoxyphenyl)sulfonyl-acrylonitrile Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C(=CN2CCC(CC2)CC3=CC=CC=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)/C(=C/N2CCC(CC2)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H24N2O3S/c1-27-20-7-9-21(10-8-20)28(25,26)22(16-23)17-24-13-11-19(12-14-24)15-18-5-3-2-4-6-18/h2-10,17,19H,11-15H2,1H3/b22-17+