1-[4-[1-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperidin-4-yl]piperidin-1-yl]-2-methyl-pentan-1-one

Systemtic Name: 1-[4-[1-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperidin-4-yl]piperidin-1-yl]-2-methyl-pentan-1-one Openeye Name: 1-[4-[1-(2-chloro-5-methylsulfanyl-benzoyl)-4-piperidyl]-1-piperidyl]-2-methyl-pentan-1-one CAS Name: 1-[4-[1-[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-4-piperidinyl]-1-piperidinyl]-2-methyl-1-pentanone IUPAC Name: 1-[4-[1-(2-chloro-5-methylsulfanylbenzoyl)piperidin-4-yl]piperidin-1-yl]-2-methylpentan-1-one Traditional Name: 1-[4-[1-[2-chloro-5-(methylthio)benzoyl]-4-piperidyl]piperidino]-2-methyl-pentan-1-one Formula: C24H35ClN2O2S MolecularWeight: 451.0649

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)N1CCC(CC1)C2CCN(CC2)C(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

CCCC(C)C(=O)N1CCC(CC1)C2CCN(CC2)C(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C24H35ClN2O2S/c1-4-5-17(2)23(28)26-12-8-18(9-13-26)19-10-14-27(15-11-19)24(29)21-16-20(30-3)6-7-22(21)25/h6-7,16-19H,4-5,8-15H2,1-3H3