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

Systemtic Name: [3-(1-methylpiperidin-4-yl)-1-phenethyl-indol-5-yl] benzenesulfonate Openeye Name: [3-(1-methyl-4-piperidyl)-1-phenethyl-indol-5-yl] benzenesulfonate CAS Name: benzenesulfonic acid [3-(1-methyl-4-piperidinyl)-1-phenethyl-5-indolyl] ester IUPAC Name: [3-(1-methylpiperidin-4-yl)-1-phenethylindol-5-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-(1-methyl-4-piperidyl)-1-phenethyl-indol-5-yl] ester Formula: C28H30N2O3S MolecularWeight: 474.6144

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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)CCC5=CC=CC=C5

Isomeric SMILES

CN1CCC(CC1)C2=CN(C3=C2C=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C28H30N2O3S/c1-29-17-15-23(16-18-29)27-21-30(19-14-22-8-4-2-5-9-22)28-13-12-24(20-26(27)28)33-34(31,32)25-10-6-3-7-11-25/h2-13,20-21,23H,14-19H2,1H3