2-(8-chloranylnaphthalen-1-yl)sulfanyl-1-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(8-chloranylnaphthalen-1-yl)sulfanyl-1-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]ethanone Openeye Name: 2-[(8-chloro-1-naphthyl)sulfanyl]-1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-piperidyl]ethanone CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]-1-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidinyl]ethanone IUPAC Name: 2-(8-chloronaphthalen-1-yl)sulfanyl-1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone Traditional Name: 2-[(8-chloro-1-naphthyl)thio]-1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidino]ethanone Formula: C27H27ClN2O2S MolecularWeight: 479.03348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C(=O)CSC4=CC=CC5=C4C(=CC=C5)Cl

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C(=O)CSC4=CC=CC5=C4C(=CC=C5)Cl

InChI

InChI=1S/C27H27ClN2O2S/c28-23-9-3-7-20-8-4-10-24(26(20)23)33-18-25(31)29-14-12-21(13-15-29)27(32)30-16-11-19-5-1-2-6-22(19)17-30/h1-10,21H,11-18H2