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

Systemtic Name: [1-[2,6-bis(fluoranyl)phenyl]sulfonyl-3-(1-methylpiperidin-4-yl)indol-5-yl] 2,6-bis(fluoranyl)benzenesulfonate Openeye Name: [1-(2,6-difluorophenyl)sulfonyl-3-(1-methyl-4-piperidyl)indol-5-yl] 2,6-difluorobenzenesulfonate CAS Name: 2,6-difluorobenzenesulfonic acid [1-(2,6-difluorophenyl)sulfonyl-3-(1-methyl-4-piperidinyl)-5-indolyl] ester IUPAC Name: [1-(2,6-difluorophenyl)sulfonyl-3-(1-methylpiperidin-4-yl)indol-5-yl] 2,6-difluorobenzenesulfonate Traditional Name: 2,6-difluorobenzenesulfonic acid [1-(2,6-difluorophenyl)sulfonyl-3-(1-methyl-4-piperidyl)indol-5-yl] ester Formula: C26H22F4N2O5S2 MolecularWeight: 582.586893

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=CN(C3=C2C=C(C=C3)OS(=O)(=O)C4=C(C=CC=C4F)F)S(=O)(=O)C5=C(C=CC=C5F)F

Isomeric SMILES

CN1CCC(CC1)C2=CN(C3=C2C=C(C=C3)OS(=O)(=O)C4=C(C=CC=C4F)F)S(=O)(=O)C5=C(C=CC=C5F)F

InChI

InChI=1S/C26H22F4N2O5S2/c1-31-12-10-16(11-13-31)19-15-32(38(33,34)25-20(27)4-2-5-21(25)28)24-9-8-17(14-18(19)24)37-39(35,36)26-22(29)6-3-7-23(26)30/h2-9,14-16H,10-13H2,1H3