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

Systemtic Name: (3-piperidin-4-yl-1H-indol-5-yl) 2,6-bis(fluoranyl)benzenesulfonate Openeye Name: [3-(4-piperidyl)-1H-indol-5-yl] 2,6-difluorobenzenesulfonate CAS Name: 2,6-difluorobenzenesulfonic acid [3-(4-piperidinyl)-1H-indol-5-yl] ester IUPAC Name: (3-piperidin-4-yl-1H-indol-5-yl) 2,6-difluorobenzenesulfonate Traditional Name: 2,6-difluorobenzenesulfonic acid [3-(4-piperidyl)-1H-indol-5-yl] ester Formula: C19H18F2N2O3S MolecularWeight: 392.419626

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=CNC3=C2C=C(C=C3)OS(=O)(=O)C4=C(C=CC=C4F)F

Isomeric SMILES

C1CNCCC1C2=CNC3=C2C=C(C=C3)OS(=O)(=O)C4=C(C=CC=C4F)F

InChI

InChI=1S/C19H18F2N2O3S/c20-16-2-1-3-17(21)19(16)27(24,25)26-13-4-5-18-14(10-13)15(11-23-18)12-6-8-22-9-7-12/h1-5,10-12,22-23H,6-9H2