4-(2-fluoranyl-4-methylsulfonyl-phenoxy)-2-piperidin-1-yl-6-(1H-pyrazol-4-yl)quinoline trihydrochloride

Systemtic Name: 4-(2-fluoranyl-4-methylsulfonyl-phenoxy)-2-piperidin-1-yl-6-(1H-pyrazol-4-yl)quinoline trihydrochloride Openeye Name: 4-(2-fluoro-4-methylsulfonyl-phenoxy)-2-(1-piperidyl)-6-(1H-pyrazol-4-yl)quinoline trihydrochloride CAS Name: 4-(2-fluoro-4-methylsulfonylphenoxy)-2-(1-piperidinyl)-6-(1H-pyrazol-4-yl)quinoline trihydrochloride IUPAC Name: 4-(2-fluoro-4-methylsulfonylphenoxy)-2-piperidin-1-yl-6-(1H-pyrazol-4-yl)quinoline trihydrochloride Traditional Name: 4-(2-fluoro-4-mesyl-phenoxy)-2-piperidino-6-(1H-pyrazol-4-yl)quinoline trihydrochloride Formula: C24H26Cl3FN4O3S MolecularWeight: 575.910643

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC(=NC3=C2C=C(C=C3)C4=CNN=C4)N5CCCCC5)F.Cl.Cl.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC(=NC3=C2C=C(C=C3)C4=CNN=C4)N5CCCCC5)F.Cl.Cl.Cl

InChI

InChI=1S/C24H23FN4O3S.3ClH/c1-33(30,31)18-6-8-22(20(25)12-18)32-23-13-24(29-9-3-2-4-10-29)28-21-7-5-16(11-19(21)23)17-14-26-27-15-17;;;/h5-8,11-15H,2-4,9-10H2,1H3,(H,26,27);3*1H