8-[[3,3-bis(fluoranyl)piperidin-1-yl]methyl]-3-(4-methylphenyl)sulfonyl-quinoline hydrochloride

Systemtic Name: 8-[[3,3-bis(fluoranyl)piperidin-1-yl]methyl]-3-(4-methylphenyl)sulfonyl-quinoline hydrochloride Openeye Name: 8-[(3,3-difluoro-1-piperidyl)methyl]-3-(p-tolylsulfonyl)quinoline hydrochloride CAS Name: 8-[(3,3-difluoro-1-piperidinyl)methyl]-3-(4-methylphenyl)sulfonylquinoline hydrochloride IUPAC Name: 8-[(3,3-difluoropiperidin-1-yl)methyl]-3-(4-methylphenyl)sulfonylquinoline hydrochloride Traditional Name: 8-[(3,3-difluoropiperidino)methyl]-3-tosyl-quinoline hydrochloride Formula: C22H23ClF2N2O2S MolecularWeight: 452.945026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C3C(=C2)C=CC=C3CN4CCCC(C4)(F)F.Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C3C(=C2)C=CC=C3CN4CCCC(C4)(F)F.Cl

InChI

InChI=1S/C22H22F2N2O2S.ClH/c1-16-6-8-19(9-7-16)29(27,28)20-12-17-4-2-5-18(21(17)25-13-20)14-26-11-3-10-22(23,24)15-26;/h2,4-9,12-13H,3,10-11,14-15H2,1H3;1H