[2,2,4-trimethyl-1-(phenylsulfonyl)quinolin-6-yl] benzenesulfonate

Systemtic Name: [2,2,4-trimethyl-1-(phenylsulfonyl)quinolin-6-yl] benzenesulfonate Openeye Name: [1-(benzenesulfonyl)-2,2,4-trimethyl-6-quinolyl] benzenesulfonate CAS Name: benzenesulfonic acid [1-(benzenesulfonyl)-2,2,4-trimethyl-6-quinolinyl] ester IUPAC Name: [1-(benzenesulfonyl)-2,2,4-trimethylquinolin-6-yl] benzenesulfonate Traditional Name: benzenesulfonic acid (1-besyl-2,2,4-trimethyl-6-quinolyl) ester Formula: C24H23NO5S2 MolecularWeight: 469.57312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)(C)C

Isomeric SMILES

CC1=CC(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)(C)C

InChI

InChI=1S/C24H23NO5S2/c1-18-17-24(2,3)25(31(26,27)20-10-6-4-7-11-20)23-15-14-19(16-22(18)23)30-32(28,29)21-12-8-5-9-13-21/h4-17H,1-3H3