3-ethyl-4-(2-fluorophenyl)sulfanyl-2-methyl-3-piperidin-4-yl-isoindol-1-one hydrochloride

Systemtic Name: 3-ethyl-4-(2-fluorophenyl)sulfanyl-2-methyl-3-piperidin-4-yl-isoindol-1-one hydrochloride Openeye Name: 3-ethyl-4-(2-fluorophenyl)sulfanyl-2-methyl-3-(4-piperidyl)isoindolin-1-one hydrochloride CAS Name: 3-ethyl-4-[(2-fluorophenyl)thio]-2-methyl-3-(4-piperidinyl)-1-isoindolone hydrochloride IUPAC Name: 3-ethyl-4-(2-fluorophenyl)sulfanyl-2-methyl-3-piperidin-4-ylisoindol-1-one hydrochloride Traditional Name: 3-ethyl-4-[(2-fluorophenyl)thio]-2-methyl-3-(4-piperidyl)isoindolin-1-one hydrochloride Formula: C22H26ClFN2OS MolecularWeight: 420.971043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC=C2SC3=CC=CC=C3F)C(=O)N1C)C4CCNCC4.Cl

Isomeric SMILES

CCC1(C2=C(C=CC=C2SC3=CC=CC=C3F)C(=O)N1C)C4CCNCC4.Cl

InChI

InChI=1S/C22H25FN2OS.ClH/c1-3-22(15-11-13-24-14-12-15)20-16(21(26)25(22)2)7-6-10-19(20)27-18-9-5-4-8-17(18)23;/h4-10,15,24H,3,11-14H2,1-2H3;1H