2-cyclopropyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]quinoline-4-carboxamide

Systemtic Name: 2-cyclopropyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]quinoline-4-carboxamide Openeye Name: 2-cyclopropyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]quinoline-4-carboxamide CAS Name: 2-cyclopropyl-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-4-quinolinecarboxamide IUPAC Name: 2-cyclopropyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]quinoline-4-carboxamide Traditional Name: 2-cyclopropyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]cinchoninamide Formula: C24H27N4O3S+ MolecularWeight: 451.56118

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

InChI

InChI=1S/C24H26N4O3S/c1-27-12-14-28(15-13-27)32(30,31)19-10-8-18(9-11-19)25-24(29)21-16-23(17-6-7-17)26-22-5-3-2-4-20(21)22/h2-5,8-11,16-17H,6-7,12-15H2,1H3,(H,25,29)/p+1