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

Systemtic Name: [3-(1-methylpiperidin-4-yl)-1-(4-phenylbutyl)indol-5-yl] benzenesulfonate Openeye Name: [3-(1-methyl-4-piperidyl)-1-(4-phenylbutyl)indol-5-yl] benzenesulfonate CAS Name: benzenesulfonic acid [3-(1-methyl-4-piperidinyl)-1-(4-phenylbutyl)-5-indolyl] ester IUPAC Name: [3-(1-methylpiperidin-4-yl)-1-(4-phenylbutyl)indol-5-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-(1-methyl-4-piperidyl)-1-(4-phenylbutyl)indol-5-yl] ester Formula: C30H34N2O3S MolecularWeight: 502.66756

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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)CCCCC5=CC=CC=C5

Isomeric SMILES

CN1CCC(CC1)C2=CN(C3=C2C=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)CCCCC5=CC=CC=C5

InChI

InChI=1S/C30H34N2O3S/c1-31-20-17-25(18-21-31)29-23-32(19-9-8-12-24-10-4-2-5-11-24)30-16-15-26(22-28(29)30)35-36(33,34)27-13-6-3-7-14-27/h2-7,10-11,13-16,22-23,25H,8-9,12,17-21H2,1H3