6-[(4-bromophenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-[(4-bromophenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 6-[(4-bromophenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid CAS Name: 6-[(4-bromophenyl)sulfonylamino]-2-(4-propyl-1-piperazinyl)-4-quinolinecarboxylic acid IUPAC Name: 6-[(4-bromophenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 6-(brosylamino)-2-(4-propylpiperazino)cinchoninic acid Formula: C23H25BrN4O4S MolecularWeight: 533.438

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Br)C(=C2)C(=O)O

Isomeric SMILES

CCCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Br)C(=C2)C(=O)O

InChI

InChI=1S/C23H25BrN4O4S/c1-2-9-27-10-12-28(13-11-27)22-15-20(23(29)30)19-14-17(5-8-21(19)25-22)26-33(31,32)18-6-3-16(24)4-7-18/h3-8,14-15,26H,2,9-13H2,1H3,(H,29,30)