2-[[2-chloranyl-4,5-bis(fluoranyl)phenyl]sulfonyl-piperidin-4-yl-methyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[[2-chloranyl-4,5-bis(fluoranyl)phenyl]sulfonyl-piperidin-4-yl-methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(2-chloro-4,5-difluoro-phenyl)sulfonyl-(4-piperidyl)methyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(2-chloro-4,5-difluorophenyl)sulfonyl-(4-piperidinyl)methyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(2-chloro-4,5-difluorophenyl)sulfonyl-piperidin-4-ylmethyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(2-chloro-4,5-difluoro-phenyl)sulfonyl-(4-piperidyl)methyl]-3,4-dihydro-1H-isoquinoline Formula: C21H23ClF2N2O2S MolecularWeight: 440.934326

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=C(C=C(C(=C4)F)F)Cl

Isomeric SMILES

C1CNCCC1C(N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=C(C=C(C(=C4)F)F)Cl

InChI

InChI=1S/C21H23ClF2N2O2S/c22-17-11-18(23)19(24)12-20(17)29(27,28)21(15-5-8-25-9-6-15)26-10-7-14-3-1-2-4-16(14)13-26/h1-4,11-12,15,21,25H,5-10,13H2