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

Systemtic Name: [3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl] 2,6-bis(fluoranyl)benzenesulfonate Openeye Name: [3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl] 2,6-difluorobenzenesulfonate CAS Name: 2,6-difluorobenzenesulfonic acid [3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl] ester IUPAC Name: [3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl] 2,6-difluorobenzenesulfonate Traditional Name: 2,6-difluorobenzenesulfonic acid [3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl] ester Formula: C20H18F2N2O3S MolecularWeight: 404.430326

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)OS(=O)(=O)C4=C(C=CC=C4F)F

Isomeric SMILES

CN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)OS(=O)(=O)C4=C(C=CC=C4F)F

InChI

InChI=1S/C20H18F2N2O3S/c1-24-9-7-13(8-10-24)16-12-23-19-6-5-14(11-15(16)19)27-28(25,26)20-17(21)3-2-4-18(20)22/h2-7,11-12,23H,8-10H2,1H3