[1-butyl-3-(1-methylpiperidin-4-yl)indol-5-yl] benzenesulfonate

Systemtic Name: [1-butyl-3-(1-methylpiperidin-4-yl)indol-5-yl] benzenesulfonate Openeye Name: [1-butyl-3-(1-methyl-4-piperidyl)indol-5-yl] benzenesulfonate CAS Name: benzenesulfonic acid [1-butyl-3-(1-methyl-4-piperidinyl)-5-indolyl] ester IUPAC Name: [1-butyl-3-(1-methylpiperidin-4-yl)indol-5-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [1-butyl-3-(1-methyl-4-piperidyl)indol-5-yl] ester Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=C1C=CC(=C2)OS(=O)(=O)C3=CC=CC=C3)C4CCN(CC4)C

Isomeric SMILES

CCCCN1C=C(C2=C1C=CC(=C2)OS(=O)(=O)C3=CC=CC=C3)C4CCN(CC4)C

InChI

InChI=1S/C24H30N2O3S/c1-3-4-14-26-18-23(19-12-15-25(2)16-13-19)22-17-20(10-11-24(22)26)29-30(27,28)21-8-6-5-7-9-21/h5-11,17-19H,3-4,12-16H2,1-2H3