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

Systemtic Name: 3-[2-(3-fluorophenyl)sulfanylethyl]-2-methyl-3-piperidin-4-yl-isoindol-1-one Openeye Name: 3-[2-(3-fluorophenyl)sulfanylethyl]-2-methyl-3-(4-piperidyl)isoindolin-1-one CAS Name: 3-[2-[(3-fluorophenyl)thio]ethyl]-2-methyl-3-(4-piperidinyl)-1-isoindolone IUPAC Name: 3-[2-(3-fluorophenyl)sulfanylethyl]-2-methyl-3-piperidin-4-ylisoindol-1-one Traditional Name: 3-[2-[(3-fluorophenyl)thio]ethyl]-2-methyl-3-(4-piperidyl)isoindolin-1-one Formula: C22H25FN2OS MolecularWeight: 384.510103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C1(CCSC3=CC=CC(=C3)F)C4CCNCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C1(CCSC3=CC=CC(=C3)F)C4CCNCC4

InChI

InChI=1S/C22H25FN2OS/c1-25-21(26)19-7-2-3-8-20(19)22(25,16-9-12-24-13-10-16)11-14-27-18-6-4-5-17(23)15-18/h2-8,15-16,24H,9-14H2,1H3