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

Systemtic Name: 8-[[3,3-bis(fluoranyl)piperidin-1-yl]methyl]-3-(4-bromophenyl)sulfonyl-quinoline hydrochloride Openeye Name: 3-(4-bromophenyl)sulfonyl-8-[(3,3-difluoro-1-piperidyl)methyl]quinoline hydrochloride CAS Name: 3-(4-bromophenyl)sulfonyl-8-[(3,3-difluoro-1-piperidinyl)methyl]quinoline hydrochloride IUPAC Name: 3-(4-bromophenyl)sulfonyl-8-[(3,3-difluoropiperidin-1-yl)methyl]quinoline hydrochloride Traditional Name: 3-brosyl-8-[(3,3-difluoropiperidino)methyl]quinoline hydrochloride Formula: C21H20BrClF2N2O2S MolecularWeight: 517.814506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC3=CC(=CN=C32)S(=O)(=O)C4=CC=C(C=C4)Br)(F)F.Cl

Isomeric SMILES

C1CC(CN(C1)CC2=CC=CC3=CC(=CN=C32)S(=O)(=O)C4=CC=C(C=C4)Br)(F)F.Cl

InChI

InChI=1S/C21H19BrF2N2O2S.ClH/c22-17-5-7-18(8-6-17)29(27,28)19-11-15-3-1-4-16(20(15)25-12-19)13-26-10-2-9-21(23,24)14-26;/h1,3-8,11-12H,2,9-10,13-14H2;1H