6-bromanyl-2-(3,4-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-2-(3,4-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide Openeye Name: 6-bromo-2-(3,4-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide CAS Name: 6-bromo-2-(3,4-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(3,4-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide Traditional Name: 6-bromo-2-(3,4-dimethylphenyl)-N-(4-sulfamoylbenzyl)cinchoninamide Formula: C25H22BrN3O3S MolecularWeight: 524.42948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N)C

InChI

InChI=1S/C25H22BrN3O3S/c1-15-3-6-18(11-16(15)2)24-13-22(21-12-19(26)7-10-23(21)29-24)25(30)28-14-17-4-8-20(9-5-17)33(27,31)32/h3-13H,14H2,1-2H3,(H,28,30)(H2,27,31,32)