2-(3,4-dimethoxyphenyl)-1-[4-[1-(2-ethylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]piperidin-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-[4-[1-(2-ethylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]piperidin-1-yl]ethanone Openeye Name: 2-(3,4-dimethoxyphenyl)-1-[4-[1-(2-ethylsulfanylpyridine-3-carbonyl)-4-piperidyl]-1-piperidyl]ethanone CAS Name: 2-(3,4-dimethoxyphenyl)-1-[4-[1-[[2-(ethylthio)-3-pyridinyl]-oxomethyl]-4-piperidinyl]-1-piperidinyl]ethanone IUPAC Name: 2-(3,4-dimethoxyphenyl)-1-[4-[1-(2-ethylsulfanylpyridine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone Traditional Name: 2-(3,4-dimethoxyphenyl)-1-[4-[1-[2-(ethylthio)nicotinoyl]-4-piperidyl]piperidino]ethanone Formula: C28H37N3O4S MolecularWeight: 511.67608

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3CCN(CC3)C(=O)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3CCN(CC3)C(=O)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H37N3O4S/c1-4-36-27-23(6-5-13-29-27)28(33)31-16-11-22(12-17-31)21-9-14-30(15-10-21)26(32)19-20-7-8-24(34-2)25(18-20)35-3/h5-8,13,18,21-22H,4,9-12,14-17,19H2,1-3H3