3-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[[4-[2-(4-ethoxyphenyl)ethyl]-1-piperidyl]sulfonyl]benzonitrile CAS Name: 3-[[4-[2-(4-ethoxyphenyl)ethyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(2-p-phenetylethyl)piperidino]sulfonylbenzonitrile Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCC2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)CCC2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H26N2O3S/c1-2-27-21-10-8-18(9-11-21)6-7-19-12-14-24(15-13-19)28(25,26)22-5-3-4-20(16-22)17-23/h3-5,8-11,16,19H,2,6-7,12-15H2,1H3