3-[3-(4-fluorophenyl)sulfanylpropyl]-2-methyl-3-piperidin-4-yl-isoindol-1-one

Systemtic Name: 3-[3-(4-fluorophenyl)sulfanylpropyl]-2-methyl-3-piperidin-4-yl-isoindol-1-one Openeye Name: 3-[3-(4-fluorophenyl)sulfanylpropyl]-2-methyl-3-(4-piperidyl)isoindolin-1-one CAS Name: 3-[3-[(4-fluorophenyl)thio]propyl]-2-methyl-3-(4-piperidinyl)-1-isoindolone IUPAC Name: 3-[3-(4-fluorophenyl)sulfanylpropyl]-2-methyl-3-piperidin-4-ylisoindol-1-one Traditional Name: 3-[3-[(4-fluorophenyl)thio]propyl]-2-methyl-3-(4-piperidyl)isoindolin-1-one Formula: C23H27FN2OS MolecularWeight: 398.536683

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C1(CCCSC3=CC=C(C=C3)F)C4CCNCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C1(CCCSC3=CC=C(C=C3)F)C4CCNCC4

InChI

InChI=1S/C23H27FN2OS/c1-26-22(27)20-5-2-3-6-21(20)23(26,17-11-14-25-15-12-17)13-4-16-28-19-9-7-18(24)8-10-19/h2-3,5-10,17,25H,4,11-16H2,1H3