[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl] 4-fluoranylbenzenesulfonate Openeye Name: [3-(1-methyl-4-piperidyl)-1H-pyrrolo[3,2-b]pyridin-5-yl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-(1-methyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl] ester IUPAC Name: [3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-(1-methyl-4-piperidyl)-1H-pyrrolo[3,2-b]pyridin-5-yl] ester Formula: C19H20FN3O3S MolecularWeight: 389.443803

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=CNC3=C2N=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CN1CCC(CC1)C2=CNC3=C2N=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H20FN3O3S/c1-23-10-8-13(9-11-23)16-12-21-17-6-7-18(22-19(16)17)26-27(24,25)15-4-2-14(20)3-5-15/h2-7,12-13,21H,8-11H2,1H3