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

Systemtic Name: 6-[(2-chlorophenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 6-[(2-chlorophenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid CAS Name: 6-[(2-chlorophenyl)sulfonylamino]-2-(4-phenyl-1-piperazinyl)-4-quinolinecarboxylic acid IUPAC Name: 6-[(2-chlorophenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 6-[(2-chlorophenyl)sulfonylamino]-2-(4-phenylpiperazino)cinchoninic acid Formula: C26H23ClN4O4S MolecularWeight: 523.00322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5Cl)C(=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5Cl)C(=C3)C(=O)O

InChI

InChI=1S/C26H23ClN4O4S/c27-22-8-4-5-9-24(22)36(34,35)29-18-10-11-23-20(16-18)21(26(32)33)17-25(28-23)31-14-12-30(13-15-31)19-6-2-1-3-7-19/h1-11,16-17,29H,12-15H2,(H,32,33)