ethyl 1-[3-[[4-chloranyl-6-(4-ethanoyl-4-phenyl-piperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[[4-chloranyl-6-(4-ethanoyl-4-phenyl-piperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-[[4-(4-acetyl-4-phenyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[3-[[[4-(4-acetyl-4-phenyl-1-piperidinyl)-6-chloro-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[4-(4-acetyl-4-phenylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[[[4-(4-acetyl-4-phenyl-piperidino)-6-chloro-pyrimidin-2-yl]thio]methyl]benzoyl]isonipecotic acid ethyl ester Formula: C33H37ClN4O4S MolecularWeight: 621.18928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCC(CC4)(C5=CC=CC=C5)C(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCC(CC4)(C5=CC=CC=C5)C(=O)C

InChI

InChI=1S/C33H37ClN4O4S/c1-3-42-31(41)25-12-16-38(17-13-25)30(40)26-9-7-8-24(20-26)22-43-32-35-28(34)21-29(36-32)37-18-14-33(15-19-37,23(2)39)27-10-5-4-6-11-27/h4-11,20-21,25H,3,12-19,22H2,1-2H3