4-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidyl]sulfonyl]benzonitrile CAS Name: 4-[[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidino]sulfonylbenzonitrile Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C22H26N2O4S/c1-27-20-13-19(14-21(15-20)28-2)4-3-17-9-11-24(12-10-17)29(25,26)22-7-5-18(16-23)6-8-22/h5-8,13-15,17H,3-4,9-12H2,1-2H3