[3-(1-methylpiperidin-4-yl)-1-(pyridin-2-ylmethyl)indol-5-yl] benzenesulfonate

Systemtic Name: [3-(1-methylpiperidin-4-yl)-1-(pyridin-2-ylmethyl)indol-5-yl] benzenesulfonate Openeye Name: [3-(1-methyl-4-piperidyl)-1-(2-pyridylmethyl)indol-5-yl] benzenesulfonate CAS Name: benzenesulfonic acid [3-(1-methyl-4-piperidinyl)-1-(2-pyridinylmethyl)-5-indolyl] ester IUPAC Name: [3-(1-methylpiperidin-4-yl)-1-(pyridin-2-ylmethyl)indol-5-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-(1-methyl-4-piperidyl)-1-(2-pyridylmethyl)indol-5-yl] ester Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=CN(C3=C2C=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=N5

Isomeric SMILES

CN1CCC(CC1)C2=CN(C3=C2C=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=N5

InChI

InChI=1S/C26H27N3O3S/c1-28-15-12-20(13-16-28)25-19-29(18-21-7-5-6-14-27-21)26-11-10-22(17-24(25)26)32-33(30,31)23-8-3-2-4-9-23/h2-11,14,17,19-20H,12-13,15-16,18H2,1H3