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

Systemtic Name: [7-methyl-3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 2,6-bis(fluoranyl)benzenesulfonate Openeye Name: [7-methyl-3-(1-methyl-4-piperidyl)-1H-indol-5-yl] 2,6-difluorobenzenesulfonate CAS Name: 2,6-difluorobenzenesulfonic acid [7-methyl-3-(1-methyl-4-piperidinyl)-1H-indol-5-yl] ester IUPAC Name: [7-methyl-3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 2,6-difluorobenzenesulfonate Traditional Name: 2,6-difluorobenzenesulfonic acid [7-methyl-3-(1-methyl-4-piperidyl)-1H-indol-5-yl] ester Formula: C21H22F2N2O3S MolecularWeight: 420.472786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)OS(=O)(=O)C3=C(C=CC=C3F)F)C(=CN2)C4CCN(CC4)C

Isomeric SMILES

CC1=C2C(=CC(=C1)OS(=O)(=O)C3=C(C=CC=C3F)F)C(=CN2)C4CCN(CC4)C

InChI

InChI=1S/C21H22F2N2O3S/c1-13-10-15(28-29(26,27)21-18(22)4-3-5-19(21)23)11-16-17(12-24-20(13)16)14-6-8-25(2)9-7-14/h3-5,10-12,14,24H,6-9H2,1-2H3