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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H24N2O4S/c1-23-11-9-15(10-12-23)20-14-22-21-8-5-17(13-19(20)21)27-28(24,25)18-6-3-16(26-2)4-7-18/h3-8,13-15,22H,9-12H2,1-2H3