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

Systemtic Name: [3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(phenylsulfonyl)indol-5-yl] benzenesulfonate Openeye Name: [1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl] benzenesulfonate CAS Name: benzenesulfonic acid [1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-indolyl] ester IUPAC Name: [1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [1-besyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl] ester Formula: C26H24N2O5S2 MolecularWeight: 508.60916

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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)C5=CC=CC=C5

Isomeric SMILES

CN1CCC(=CC1)C2=CN(C3=C2C=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H24N2O5S2/c1-27-16-14-20(15-17-27)25-19-28(34(29,30)22-8-4-2-5-9-22)26-13-12-21(18-24(25)26)33-35(31,32)23-10-6-3-7-11-23/h2-14,18-19H,15-17H2,1H3