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

Systemtic Name: 4-[methyl-(4-methylphenyl)sulfonyl-amino]-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]benzamide Openeye Name: N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-4-[methyl(p-tolylsulfonyl)amino]benzamide CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(4-methyl-1-piperazin-4-iumyl)propyl]benzamide IUPAC Name: 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]benzamide Traditional Name: N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-4-[methyl(tosyl)amino]benzamide Formula: C23H33N4O3S+ MolecularWeight: 445.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NCCCN3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NCCCN3CC[NH+](CC3)C

InChI

InChI=1S/C23H32N4O3S/c1-19-5-11-22(12-6-19)31(29,30)26(3)21-9-7-20(8-10-21)23(28)24-13-4-14-27-17-15-25(2)16-18-27/h5-12H,4,13-18H2,1-3H3,(H,24,28)/p+1