[3-(1-methylpiperidin-2-yl)-1H-indol-5-yl] 4-methoxybenzenesulfonate

Systemtic Name: [3-(1-methylpiperidin-2-yl)-1H-indol-5-yl] 4-methoxybenzenesulfonate Openeye Name: [3-(1-methyl-2-piperidyl)-1H-indol-5-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-(1-methyl-2-piperidinyl)-1H-indol-5-yl] ester IUPAC Name: [3-(1-methylpiperidin-2-yl)-1H-indol-5-yl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-(1-methyl-2-piperidyl)-1H-indol-5-yl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC1C2=CNC3=C2C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1CCCCC1C2=CNC3=C2C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H24N2O4S/c1-23-12-4-3-5-21(23)19-14-22-20-11-8-16(13-18(19)20)27-28(24,25)17-9-6-15(26-2)7-10-17/h6-11,13-14,21-22H,3-5,12H2,1-2H3