1-[2-bromanyl-5-(diethylsulfamoyl)phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[2-bromanyl-5-(diethylsulfamoyl)phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[2-bromo-5-(diethylsulfamoyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[2-bromo-5-(diethylsulfamoyl)phenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[2-bromo-5-(diethylsulfamoyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[2-bromo-5-(diethylsulfamoyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)N2CCCC3=C(C=CC=C32)C(=O)O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)N2CCCC3=C(C=CC=C32)C(=O)O

InChI

InChI=1S/C21H23BrN2O5S/c1-3-23(4-2)30(28,29)14-10-11-18(22)17(13-14)20(25)24-12-6-8-15-16(21(26)27)7-5-9-19(15)24/h5,7,9-11,13H,3-4,6,8,12H2,1-2H3,(H,26,27)