2-(4-bromophenyl)-N-[2-(butylamino)-5-sulfamoyl-phenyl]quinoline-4-carboxamide

Systemtic Name: 2-(4-bromophenyl)-N-[2-(butylamino)-5-sulfamoyl-phenyl]quinoline-4-carboxamide Openeye Name: 2-(4-bromophenyl)-N-[2-(butylamino)-5-sulfamoyl-phenyl]quinoline-4-carboxamide CAS Name: 2-(4-bromophenyl)-N-[2-(butylamino)-5-sulfamoylphenyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-bromophenyl)-N-[2-(butylamino)-5-sulfamoylphenyl]quinoline-4-carboxamide Traditional Name: 2-(4-bromophenyl)-N-[2-(butylamino)-5-sulfamoyl-phenyl]cinchoninamide Formula: C26H25BrN4O3S MolecularWeight: 553.4707

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H25BrN4O3S/c1-2-3-14-29-23-13-12-19(35(28,33)34)15-25(23)31-26(32)21-16-24(17-8-10-18(27)11-9-17)30-22-7-5-4-6-20(21)22/h4-13,15-16,29H,2-3,14H2,1H3,(H,31,32)(H2,28,33,34)