2-phenylsulfanyl-1-[4-[1-(3,4,5-trimethoxyphenyl)carbonylpiperidin-4-yl]piperidin-1-yl]ethanone

Systemtic Name: 2-phenylsulfanyl-1-[4-[1-(3,4,5-trimethoxyphenyl)carbonylpiperidin-4-yl]piperidin-1-yl]ethanone Openeye Name: 2-phenylsulfanyl-1-[4-[1-(3,4,5-trimethoxybenzoyl)-4-piperidyl]-1-piperidyl]ethanone CAS Name: 1-[4-[1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinyl]-1-piperidinyl]-2-(phenylthio)ethanone IUPAC Name: 2-phenylsulfanyl-1-[4-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]piperidin-1-yl]ethanone Traditional Name: 2-(phenylthio)-1-[4-[1-(3,4,5-trimethoxybenzoyl)-4-piperidyl]piperidino]ethanone Formula: C28H36N2O5S MolecularWeight: 512.66084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(CC2)C3CCN(CC3)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(CC2)C3CCN(CC3)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C28H36N2O5S/c1-33-24-17-22(18-25(34-2)27(24)35-3)28(32)30-15-11-21(12-16-30)20-9-13-29(14-10-20)26(31)19-36-23-7-5-4-6-8-23/h4-8,17-18,20-21H,9-16,19H2,1-3H3