methyl 2-[(2-bromanyl-5-sulfamoyl-phenyl)carbonyloxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[(2-bromanyl-5-sulfamoyl-phenyl)carbonyloxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(2-bromo-5-sulfamoyl-benzoyl)oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(2-bromo-5-sulfamoylphenyl)-oxomethoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-bromo-5-sulfamoylbenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[(2-bromo-5-sulfamoyl-benzoyl)oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C20H17BrN2O6S MolecularWeight: 493.32778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N)Br)C(=O)OC

InChI

InChI=1S/C20H17BrN2O6S/c1-11-13-5-3-4-6-16(13)23-17(18(11)20(25)28-2)10-29-19(24)14-9-12(30(22,26)27)7-8-15(14)21/h3-9H,10H2,1-2H3,(H2,22,26,27)