3-methyl-N-[3-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]amino]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 3-methyl-N-[3-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]amino]-3-oxidanylidene-propyl]benzamide Openeye Name: 3-methyl-N-[3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylanilino]-3-oxo-propyl]benzamide CAS Name: 3-methyl-N-[3-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]anilino]-3-oxopropyl]benzamide IUPAC Name: 3-methyl-N-[3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylanilino]-3-oxopropyl]benzamide Traditional Name: N-[3-keto-3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylanilino]propyl]-3-methyl-benzamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H28N4O4S/c1-17-4-3-5-18(16-17)22(28)23-11-10-21(27)24-19-6-8-20(9-7-19)31(29,30)26-14-12-25(2)13-15-26/h3-9,16H,10-15H2,1-2H3,(H,23,28)(H,24,27)/p+1