6-[(2-chlorophenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-[(2-chlorophenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 6-[(2-chlorophenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid CAS Name: 6-[(2-chlorophenyl)sulfonylamino]-2-(4-methyl-1-piperazinyl)-4-quinolinecarboxylic acid IUPAC Name: 6-[(2-chlorophenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 6-[(2-chlorophenyl)sulfonylamino]-2-(4-methylpiperazino)cinchoninic acid Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4Cl)C(=C2)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4Cl)C(=C2)C(=O)O

InChI

InChI=1S/C21H21ClN4O4S/c1-25-8-10-26(11-9-25)20-13-16(21(27)28)15-12-14(6-7-18(15)23-20)24-31(29,30)19-5-3-2-4-17(19)22/h2-7,12-13,24H,8-11H2,1H3,(H,27,28)