[1,7-dimethyl-3-(1-methylpiperidin-4-yl)indol-5-yl] benzenesulfonate

Systemtic Name: [1,7-dimethyl-3-(1-methylpiperidin-4-yl)indol-5-yl] benzenesulfonate Openeye Name: [1,7-dimethyl-3-(1-methyl-4-piperidyl)indol-5-yl] benzenesulfonate CAS Name: benzenesulfonic acid [1,7-dimethyl-3-(1-methyl-4-piperidinyl)-5-indolyl] ester IUPAC Name: [1,7-dimethyl-3-(1-methylpiperidin-4-yl)indol-5-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [1,7-dimethyl-3-(1-methyl-4-piperidyl)indol-5-yl] ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)OS(=O)(=O)C3=CC=CC=C3)C(=CN2C)C4CCN(CC4)C

Isomeric SMILES

CC1=C2C(=CC(=C1)OS(=O)(=O)C3=CC=CC=C3)C(=CN2C)C4CCN(CC4)C

InChI

InChI=1S/C22H26N2O3S/c1-16-13-18(27-28(25,26)19-7-5-4-6-8-19)14-20-21(15-24(3)22(16)20)17-9-11-23(2)12-10-17/h4-8,13-15,17H,9-12H2,1-3H3