2-[3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]indol-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]indol-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]indol-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[3-[(2-chloro-6-fluorophenyl)methylthio]-1-indolyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[3-[(2-chloro-6-fluorophenyl)methylsulfanyl]indol-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[3-[(2-chloro-6-fluoro-benzyl)thio]indol-1-yl]-1-piperidino-ethanone Formula: C22H22ClFN2OS MolecularWeight: 416.939283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C22H22ClFN2OS/c23-18-8-6-9-19(24)17(18)15-28-21-13-26(20-10-3-2-7-16(20)21)14-22(27)25-11-4-1-5-12-25/h2-3,6-10,13H,1,4-5,11-12,14-15H2