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

Systemtic Name: [1-ethylsulfonyl-3-(1-methylpiperidin-4-yl)indol-5-yl] benzenesulfonate Openeye Name: [1-ethylsulfonyl-3-(1-methyl-4-piperidyl)indol-5-yl] benzenesulfonate CAS Name: benzenesulfonic acid [1-ethylsulfonyl-3-(1-methyl-4-piperidinyl)-5-indolyl] ester IUPAC Name: [1-ethylsulfonyl-3-(1-methylpiperidin-4-yl)indol-5-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [1-esyl-3-(1-methyl-4-piperidyl)indol-5-yl] ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S2/c1-3-30(25,26)24-16-21(17-11-13-23(2)14-12-17)20-15-18(9-10-22(20)24)29-31(27,28)19-7-5-4-6-8-19/h4-10,15-17H,3,11-14H2,1-2H3