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

Systemtic Name: [1-ethyl-3-(1-methylpiperidin-4-yl)indol-5-yl] 2,6-bis(fluoranyl)benzenesulfonate Openeye Name: [1-ethyl-3-(1-methyl-4-piperidyl)indol-5-yl] 2,6-difluorobenzenesulfonate CAS Name: 2,6-difluorobenzenesulfonic acid [1-ethyl-3-(1-methyl-4-piperidinyl)-5-indolyl] ester IUPAC Name: [1-ethyl-3-(1-methylpiperidin-4-yl)indol-5-yl] 2,6-difluorobenzenesulfonate Traditional Name: 2,6-difluorobenzenesulfonic acid [1-ethyl-3-(1-methyl-4-piperidyl)indol-5-yl] ester Formula: C22H24F2N2O3S MolecularWeight: 434.499366

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=CC(=C2)OS(=O)(=O)C3=C(C=CC=C3F)F)C4CCN(CC4)C

Isomeric SMILES

CCN1C=C(C2=C1C=CC(=C2)OS(=O)(=O)C3=C(C=CC=C3F)F)C4CCN(CC4)C

InChI

InChI=1S/C22H24F2N2O3S/c1-3-26-14-18(15-9-11-25(2)12-10-15)17-13-16(7-8-21(17)26)29-30(27,28)22-19(23)5-4-6-20(22)24/h4-8,13-15H,3,9-12H2,1-2H3