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

Systemtic Name: [3-(1-methylpiperidin-4-yl)-1-(2-methylpropyl)indol-5-yl] benzenesulfonate Openeye Name: [1-isobutyl-3-(1-methyl-4-piperidyl)indol-5-yl] benzenesulfonate CAS Name: benzenesulfonic acid [3-(1-methyl-4-piperidinyl)-1-(2-methylpropyl)-5-indolyl] ester IUPAC Name: [3-(1-methylpiperidin-4-yl)-1-(2-methylpropyl)indol-5-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [1-isobutyl-3-(1-methyl-4-piperidyl)indol-5-yl] ester Formula: C24H30N2O3S MolecularWeight: 426.5716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=C1C=CC(=C2)OS(=O)(=O)C3=CC=CC=C3)C4CCN(CC4)C

Isomeric SMILES

CC(C)CN1C=C(C2=C1C=CC(=C2)OS(=O)(=O)C3=CC=CC=C3)C4CCN(CC4)C

InChI

InChI=1S/C24H30N2O3S/c1-18(2)16-26-17-23(19-11-13-25(3)14-12-19)22-15-20(9-10-24(22)26)29-30(27,28)21-7-5-4-6-8-21/h4-10,15,17-19H,11-14,16H2,1-3H3