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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

COC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C27H33N3O4S/c1-34-25-10-8-21(9-11-25)6-7-22-12-16-29(17-13-22)27(31)23-14-18-30(19-15-23)35(32,33)26-5-3-2-4-24(26)20-28/h2-5,8-11,22-23H,6-7,12-19H2,1H3