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

Systemtic Name: 4-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]carbonylpiperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]-1-piperidyl]sulfonyl]benzonitrile CAS Name: 4-[[4-[[4-[2-(4-methoxyphenyl)ethyl]-1-piperidinyl]-oxomethyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]piperidino]sulfonylbenzonitrile Formula: C27H33N3O4S MolecularWeight: 495.63362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H33N3O4S/c1-34-25-8-4-21(5-9-25)2-3-22-12-16-29(17-13-22)27(31)24-14-18-30(19-15-24)35(32,33)26-10-6-23(20-28)7-11-26/h4-11,22,24H,2-3,12-19H2,1H3