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

Systemtic Name: 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidyl]sulfonyl]benzonitrile CAS Name: 2-[[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[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=CC=C3C#N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)OC

InChI

InChI=1S/C22H26N2O4S/c1-27-20-13-18(14-21(15-20)28-2)8-7-17-9-11-24(12-10-17)29(25,26)22-6-4-3-5-19(22)16-23/h3-6,13-15,17H,7-12H2,1-2H3