[5,7-bis(chloranyl)-2-methyl-quinolin-8-yl] 4-methylsulfonylbenzenesulfonate

Systemtic Name: [5,7-bis(chloranyl)-2-methyl-quinolin-8-yl] 4-methylsulfonylbenzenesulfonate Openeye Name: (5,7-dichloro-2-methyl-8-quinolyl) 4-methylsulfonylbenzenesulfonate CAS Name: 4-methylsulfonylbenzenesulfonic acid (5,7-dichloro-2-methyl-8-quinolinyl) ester IUPAC Name: (5,7-dichloro-2-methylquinolin-8-yl) 4-methylsulfonylbenzenesulfonate Traditional Name: 4-mesylbenzenesulfonic acid (5,7-dichloro-2-methyl-8-quinolyl) ester Formula: C17H13Cl2NO5S2 MolecularWeight: 446.32482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC(=C2OS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C)Cl)Cl

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC(=C2OS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C)Cl)Cl

InChI

InChI=1S/C17H13Cl2NO5S2/c1-10-3-8-13-14(18)9-15(19)17(16(13)20-10)25-27(23,24)12-6-4-11(5-7-12)26(2,21)22/h3-9H,1-2H3