1-[1-(oxolan-2-ylmethyl)-4-(2-phenylsulfanylphenyl)piperidin-4-yl]propan-1-one

Systemtic Name: 1-[1-(oxolan-2-ylmethyl)-4-(2-phenylsulfanylphenyl)piperidin-4-yl]propan-1-one Openeye Name: 1-[4-(2-phenylsulfanylphenyl)-1-(tetrahydrofuran-2-ylmethyl)-4-piperidyl]propan-1-one CAS Name: 1-[1-(2-oxolanylmethyl)-4-[2-(phenylthio)phenyl]-4-piperidinyl]-1-propanone IUPAC Name: 1-[1-(oxolan-2-ylmethyl)-4-(2-phenylsulfanylphenyl)piperidin-4-yl]propan-1-one Traditional Name: 1-[4-[2-(phenylthio)phenyl]-1-(tetrahydrofurfuryl)-4-piperidyl]propan-1-one Formula: C25H31NO2S MolecularWeight: 409.58414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(CCN(CC1)CC2CCCO2)C3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

CCC(=O)C1(CCN(CC1)CC2CCCO2)C3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C25H31NO2S/c1-2-24(27)25(14-16-26(17-15-25)19-20-9-8-18-28-20)22-12-6-7-13-23(22)29-21-10-4-3-5-11-21/h3-7,10-13,20H,2,8-9,14-19H2,1H3