N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: 6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-4-oxo-N-(p-tolylmethyl)-1H-quinoline-3-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-6-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxamide Traditional Name: 4-keto-N-(4-methylbenzyl)-6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-1H-quinoline-3-carboxamide Formula: C23H27N4O4S+ MolecularWeight: 455.54988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H26N4O4S/c1-16-3-5-17(6-4-16)14-25-23(29)20-15-24-21-8-7-18(13-19(21)22(20)28)32(30,31)27-11-9-26(2)10-12-27/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,28)(H,25,29)/p+1