[3-(1-methylpiperidin-4-yl)-1-propan-2-ylsulfonyl-indol-5-yl] benzenesulfonate

Systemtic Name: [3-(1-methylpiperidin-4-yl)-1-propan-2-ylsulfonyl-indol-5-yl] benzenesulfonate Openeye Name: [1-isopropylsulfonyl-3-(1-methyl-4-piperidyl)indol-5-yl] benzenesulfonate CAS Name: benzenesulfonic acid [3-(1-methyl-4-piperidinyl)-1-propan-2-ylsulfonyl-5-indolyl] ester IUPAC Name: [3-(1-methylpiperidin-4-yl)-1-propan-2-ylsulfonylindol-5-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [1-isopropylsulfonyl-3-(1-methyl-4-piperidyl)indol-5-yl] ester Formula: C23H28N2O5S2 MolecularWeight: 476.60882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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