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

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-propan-2-yl-quinoline-4-carboxamide Openeye Name: 2-isopropyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]quinoline-4-carboxamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-propan-2-yl-4-quinolinecarboxamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-propan-2-ylquinoline-4-carboxamide Traditional Name: 2-isopropyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]cinchoninamide Formula: C24H29N4O3S+ MolecularWeight: 453.57706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C24H28N4O3S/c1-17(2)23-16-21(20-6-4-5-7-22(20)26-23)24(29)25-18-8-10-19(11-9-18)32(30,31)28-14-12-27(3)13-15-28/h4-11,16-17H,12-15H2,1-3H3,(H,25,29)/p+1