2-[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-4-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-piperidyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-piperidyl]-3,4-dihydro-1H-isoquinoline Formula: C20H22ClFN2O2S MolecularWeight: 408.917283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CCC1N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C20H22ClFN2O2S/c21-19-13-18(5-6-20(19)22)27(25,26)24-11-8-17(9-12-24)23-10-7-15-3-1-2-4-16(15)14-23/h1-6,13,17H,7-12,14H2