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

Systemtic Name: [2-methyl-3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 2,6-bis(fluoranyl)benzenesulfonate Openeye Name: [2-methyl-3-(1-methyl-4-piperidyl)-1H-indol-5-yl] 2,6-difluorobenzenesulfonate CAS Name: 2,6-difluorobenzenesulfonic acid [2-methyl-3-(1-methyl-4-piperidinyl)-1H-indol-5-yl] ester IUPAC Name: [2-methyl-3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 2,6-difluorobenzenesulfonate Traditional Name: 2,6-difluorobenzenesulfonic acid [2-methyl-3-(1-methyl-4-piperidyl)-1H-indol-5-yl] ester Formula: C21H22F2N2O3S MolecularWeight: 420.472786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)OS(=O)(=O)C3=C(C=CC=C3F)F)C4CCN(CC4)C

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)OS(=O)(=O)C3=C(C=CC=C3F)F)C4CCN(CC4)C

InChI

InChI=1S/C21H22F2N2O3S/c1-13-20(14-8-10-25(2)11-9-14)16-12-15(6-7-19(16)24-13)28-29(26,27)21-17(22)4-3-5-18(21)23/h3-7,12,14,24H,8-11H2,1-2H3