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

Systemtic Name: [7-methyl-3-(1-methylpiperidin-4-yl)-1-propyl-indol-5-yl] 2,6-bis(fluoranyl)benzenesulfonate Openeye Name: [7-methyl-3-(1-methyl-4-piperidyl)-1-propyl-indol-5-yl] 2,6-difluorobenzenesulfonate CAS Name: 2,6-difluorobenzenesulfonic acid [7-methyl-3-(1-methyl-4-piperidinyl)-1-propyl-5-indolyl] ester IUPAC Name: [7-methyl-3-(1-methylpiperidin-4-yl)-1-propylindol-5-yl] 2,6-difluorobenzenesulfonate Traditional Name: 2,6-difluorobenzenesulfonic acid [7-methyl-3-(1-methyl-4-piperidyl)-1-propyl-indol-5-yl] ester Formula: C24H28F2N2O3S MolecularWeight: 462.552526

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=CC(=CC(=C21)C)OS(=O)(=O)C3=C(C=CC=C3F)F)C4CCN(CC4)C

Isomeric SMILES

CCCN1C=C(C2=CC(=CC(=C21)C)OS(=O)(=O)C3=C(C=CC=C3F)F)C4CCN(CC4)C

InChI

InChI=1S/C24H28F2N2O3S/c1-4-10-28-15-20(17-8-11-27(3)12-9-17)19-14-18(13-16(2)23(19)28)31-32(29,30)24-21(25)6-5-7-22(24)26/h5-7,13-15,17H,4,8-12H2,1-3H3