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

Systemtic Name: [3-(1-methylpiperidin-4-yl)-1-propylsulfonyl-indol-5-yl] benzenesulfonate Openeye Name: [3-(1-methyl-4-piperidyl)-1-propylsulfonyl-indol-5-yl] benzenesulfonate CAS Name: benzenesulfonic acid [3-(1-methyl-4-piperidinyl)-1-propylsulfonyl-5-indolyl] ester IUPAC Name: [3-(1-methylpiperidin-4-yl)-1-propylsulfonylindol-5-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-(1-methyl-4-piperidyl)-1-propylsulfonyl-indol-5-yl] ester Formula: C23H28N2O5S2 MolecularWeight: 476.60882

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1C=C(C2=C1C=CC(=C2)OS(=O)(=O)C3=CC=CC=C3)C4CCN(CC4)C

Isomeric SMILES

CCCS(=O)(=O)N1C=C(C2=C1C=CC(=C2)OS(=O)(=O)C3=CC=CC=C3)C4CCN(CC4)C

InChI

InChI=1S/C23H28N2O5S2/c1-3-15-31(26,27)25-17-22(18-11-13-24(2)14-12-18)21-16-19(9-10-23(21)25)30-32(28,29)20-7-5-4-6-8-20/h4-10,16-18H,3,11-15H2,1-2H3