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

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

Isomeric SMILES

CCOC1=CC=C(C=C1)CCC2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

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