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

Systemtic Name: ethanedioic acid; [1-methyl-3-(1-methylpiperidin-4-yl)indol-5-yl] 2,6-bis(fluoranyl)benzenesulfonate Openeye Name: [1-methyl-3-(1-methyl-4-piperidyl)indol-5-yl] 2,6-difluorobenzenesulfonate; oxalic acid CAS Name: 2,6-difluorobenzenesulfonic acid [1-methyl-3-(1-methyl-4-piperidinyl)-5-indolyl] ester; oxalic acid IUPAC Name: [1-methyl-3-(1-methylpiperidin-4-yl)indol-5-yl] 2,6-difluorobenzenesulfonate; oxalic acid Traditional Name: 2,6-difluorobenzenesulfonic acid [1-methyl-3-(1-methyl-4-piperidyl)indol-5-yl] ester; oxalic acid Formula: C23H24F2N2O7S MolecularWeight: 510.507666

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=CN(C3=C2C=C(C=C3)OS(=O)(=O)C4=C(C=CC=C4F)F)C.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC(CC1)C2=CN(C3=C2C=C(C=C3)OS(=O)(=O)C4=C(C=CC=C4F)F)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H22F2N2O3S.C2H2O4/c1-24-10-8-14(9-11-24)17-13-25(2)20-7-6-15(12-16(17)20)28-29(26,27)21-18(22)4-3-5-19(21)23;3-1(4)2(5)6/h3-7,12-14H,8-11H2,1-2H3;(H,3,4)(H,5,6)