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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C2=C1C=CC(=C2)OS(=O)(=O)C3=C(C=CC=C3F)F)C4CCN(CC4)C

Isomeric SMILES

CC(C)N1C=C(C2=C1C=CC(=C2)OS(=O)(=O)C3=C(C=CC=C3F)F)C4CCN(CC4)C

InChI

InChI=1S/C23H26F2N2O3S/c1-15(2)27-14-19(16-9-11-26(3)12-10-16)18-13-17(7-8-22(18)27)30-31(28,29)23-20(24)5-4-6-21(23)25/h4-8,13-16H,9-12H2,1-3H3