4-[4-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]sulfonylphenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]sulfonylphenyl]benzenecarbonitrile Openeye Name: 4-[4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidyl]sulfonyl]phenyl]benzonitrile CAS Name: 4-[4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidinyl]sulfonyl]phenyl]benzonitrile IUPAC Name: 4-[4-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]sulfonylphenyl]benzonitrile Traditional Name: 4-[4-[(1-homoveratryl-4-piperidyl)sulfonyl]phenyl]benzonitrile Formula: C28H30N2O4S MolecularWeight: 490.6138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CCC(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CCC(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N)OC

InChI

InChI=1S/C28H30N2O4S/c1-33-27-12-5-21(19-28(27)34-2)13-16-30-17-14-26(15-18-30)35(31,32)25-10-8-24(9-11-25)23-6-3-22(20-29)4-7-23/h3-12,19,26H,13-18H2,1-2H3