[6-fluoranyl-3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 2,6-bis(fluoranyl)benzenesulfonate

Systemtic Name: [6-fluoranyl-3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 2,6-bis(fluoranyl)benzenesulfonate Openeye Name: [6-fluoro-3-(1-methyl-4-piperidyl)-1H-indol-5-yl] 2,6-difluorobenzenesulfonate CAS Name: 2,6-difluorobenzenesulfonic acid [6-fluoro-3-(1-methyl-4-piperidinyl)-1H-indol-5-yl] ester IUPAC Name: [6-fluoro-3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 2,6-difluorobenzenesulfonate Traditional Name: 2,6-difluorobenzenesulfonic acid [6-fluoro-3-(1-methyl-4-piperidyl)-1H-indol-5-yl] ester Formula: C20H19F3N2O3S MolecularWeight: 424.43667

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=CNC3=CC(=C(C=C32)OS(=O)(=O)C4=C(C=CC=C4F)F)F

Isomeric SMILES

CN1CCC(CC1)C2=CNC3=CC(=C(C=C32)OS(=O)(=O)C4=C(C=CC=C4F)F)F

InChI

InChI=1S/C20H19F3N2O3S/c1-25-7-5-12(6-8-25)14-11-24-18-10-17(23)19(9-13(14)18)28-29(26,27)20-15(21)3-2-4-16(20)22/h2-4,9-12,24H,5-8H2,1H3