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

Systemtic Name: [3-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)indol-5-yl] benzenesulfonate Openeye Name: [3-(1-methyl-4-piperidyl)-1-(3-phenylpropyl)indol-5-yl] benzenesulfonate CAS Name: benzenesulfonic acid [3-(1-methyl-4-piperidinyl)-1-(3-phenylpropyl)-5-indolyl] ester IUPAC Name: [3-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)indol-5-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-(1-methyl-4-piperidyl)-1-(3-phenylpropyl)indol-5-yl] ester Formula: C29H32N2O3S MolecularWeight: 488.64098

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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)CCCC5=CC=CC=C5

Isomeric SMILES

CN1CCC(CC1)C2=CN(C3=C2C=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)CCCC5=CC=CC=C5

InChI

InChI=1S/C29H32N2O3S/c1-30-19-16-24(17-20-30)28-22-31(18-8-11-23-9-4-2-5-10-23)29-15-14-25(21-27(28)29)34-35(32,33)26-12-6-3-7-13-26/h2-7,9-10,12-15,21-22,24H,8,11,16-20H2,1H3