[6-bromanyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl] benzenesulfonate

Systemtic Name: [6-bromanyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl] benzenesulfonate Openeye Name: [6-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl] benzenesulfonate CAS Name: benzenesulfonic acid [6-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl] ester IUPAC Name: [6-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [6-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl] ester Formula: C20H19BrN2O3S MolecularWeight: 447.34546

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=CC1)C2=CNC3=CC(=C(C=C32)OS(=O)(=O)C4=CC=CC=C4)Br

Isomeric SMILES

CN1CCC(=CC1)C2=CNC3=CC(=C(C=C32)OS(=O)(=O)C4=CC=CC=C4)Br

InChI

InChI=1S/C20H19BrN2O3S/c1-23-9-7-14(8-10-23)17-13-22-19-12-18(21)20(11-16(17)19)26-27(24,25)15-5-3-2-4-6-15/h2-7,11-13,22H,8-10H2,1H3