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

Systemtic Name: 6-[(4-bromophenyl)sulfonylamino]-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 6-[(4-bromophenyl)sulfonylamino]-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid CAS Name: 6-[(4-bromophenyl)sulfonylamino]-2-(4-ethyl-1-piperazinyl)-4-quinolinecarboxylic acid IUPAC Name: 6-[(4-bromophenyl)sulfonylamino]-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 6-(brosylamino)-2-(4-ethylpiperazino)cinchoninic acid Formula: C22H23BrN4O4S MolecularWeight: 519.41142

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Br)C(=C2)C(=O)O

Isomeric SMILES

CCN1CCN(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/C22H23BrN4O4S/c1-2-26-9-11-27(12-10-26)21-14-19(22(28)29)18-13-16(5-8-20(18)24-21)25-32(30,31)17-6-3-15(23)4-7-17/h3-8,13-14,25H,2,9-12H2,1H3,(H,28,29)