1-[1-methyl-4-(2-phenylsulfanylphenyl)piperidin-4-yl]butan-1-one

Systemtic Name: 1-[1-methyl-4-(2-phenylsulfanylphenyl)piperidin-4-yl]butan-1-one Openeye Name: 1-[1-methyl-4-(2-phenylsulfanylphenyl)-4-piperidyl]butan-1-one CAS Name: 1-[1-methyl-4-[2-(phenylthio)phenyl]-4-piperidinyl]-1-butanone IUPAC Name: 1-[1-methyl-4-(2-phenylsulfanylphenyl)piperidin-4-yl]butan-1-one Traditional Name: 1-[1-methyl-4-[2-(phenylthio)phenyl]-4-piperidyl]butan-1-one Formula: C22H27NOS MolecularWeight: 353.52088

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1(CCN(CC1)C)C2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)C1(CCN(CC1)C)C2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C22H27NOS/c1-3-9-21(24)22(14-16-23(2)17-15-22)19-12-7-8-13-20(19)25-18-10-5-4-6-11-18/h4-8,10-13H,3,9,14-17H2,1-2H3