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

Systemtic Name: [3-(1-methylpiperidin-4-yl)-1-methylsulfonyl-indol-5-yl] benzenesulfonate Openeye Name: [3-(1-methyl-4-piperidyl)-1-methylsulfonyl-indol-5-yl] benzenesulfonate CAS Name: benzenesulfonic acid [3-(1-methyl-4-piperidinyl)-1-methylsulfonyl-5-indolyl] ester IUPAC Name: [3-(1-methylpiperidin-4-yl)-1-methylsulfonylindol-5-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [1-mesyl-3-(1-methyl-4-piperidyl)indol-5-yl] ester Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S2/c1-22-12-10-16(11-13-22)20-15-23(29(2,24)25)21-9-8-17(14-19(20)21)28-30(26,27)18-6-4-3-5-7-18/h3-9,14-16H,10-13H2,1-2H3