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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C1(CCSC3=CC=CC=C3F)C4CCNCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C1(CCSC3=CC=CC=C3F)C4CCNCC4

InChI

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