2-[3-[(3-chlorophenyl)methylsulfanyl]indol-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[3-[(3-chlorophenyl)methylsulfanyl]indol-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[3-[(3-chlorophenyl)methylsulfanyl]indol-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[3-[(3-chlorophenyl)methylthio]-1-indolyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[3-[(3-chlorophenyl)methylsulfanyl]indol-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[3-[(3-chlorobenzyl)thio]indol-1-yl]-1-piperidino-ethanone Formula: C22H23ClN2OS MolecularWeight: 398.94882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H23ClN2OS/c23-18-8-6-7-17(13-18)16-27-21-14-25(20-10-3-2-9-19(20)21)15-22(26)24-11-4-1-5-12-24/h2-3,6-10,13-14H,1,4-5,11-12,15-16H2