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

Systemtic Name: [1-ethyl-7-methyl-3-(1-methylpiperidin-4-yl)indol-5-yl] 2,6-bis(fluoranyl)benzenesulfonate Openeye Name: [1-ethyl-7-methyl-3-(1-methyl-4-piperidyl)indol-5-yl] 2,6-difluorobenzenesulfonate CAS Name: 2,6-difluorobenzenesulfonic acid [1-ethyl-7-methyl-3-(1-methyl-4-piperidinyl)-5-indolyl] ester IUPAC Name: [1-ethyl-7-methyl-3-(1-methylpiperidin-4-yl)indol-5-yl] 2,6-difluorobenzenesulfonate Traditional Name: 2,6-difluorobenzenesulfonic acid [1-ethyl-7-methyl-3-(1-methyl-4-piperidyl)indol-5-yl] ester Formula: C23H26F2N2O3S MolecularWeight: 448.525946

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC(=CC(=C21)C)OS(=O)(=O)C3=C(C=CC=C3F)F)C4CCN(CC4)C

Isomeric SMILES

CCN1C=C(C2=CC(=CC(=C21)C)OS(=O)(=O)C3=C(C=CC=C3F)F)C4CCN(CC4)C

InChI

InChI=1S/C23H26F2N2O3S/c1-4-27-14-19(16-8-10-26(3)11-9-16)18-13-17(12-15(2)22(18)27)30-31(28,29)23-20(24)6-5-7-21(23)25/h5-7,12-14,16H,4,8-11H2,1-3H3