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

Systemtic Name: [1,7-dimethyl-3-(1-methylpiperidin-4-yl)indol-5-yl] 2,6-bis(fluoranyl)benzenesulfonate Openeye Name: [1,7-dimethyl-3-(1-methyl-4-piperidyl)indol-5-yl] 2,6-difluorobenzenesulfonate CAS Name: 2,6-difluorobenzenesulfonic acid [1,7-dimethyl-3-(1-methyl-4-piperidinyl)-5-indolyl] ester IUPAC Name: [1,7-dimethyl-3-(1-methylpiperidin-4-yl)indol-5-yl] 2,6-difluorobenzenesulfonate Traditional Name: 2,6-difluorobenzenesulfonic acid [1,7-dimethyl-3-(1-methyl-4-piperidyl)indol-5-yl] ester Formula: C22H24F2N2O3S MolecularWeight: 434.499366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)OS(=O)(=O)C3=C(C=CC=C3F)F)C(=CN2C)C4CCN(CC4)C

Isomeric SMILES

CC1=C2C(=CC(=C1)OS(=O)(=O)C3=C(C=CC=C3F)F)C(=CN2C)C4CCN(CC4)C

InChI

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