2-[methyl-(4-methylphenyl)sulfonyl-amino]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-[methyl-(4-methylphenyl)sulfonyl-amino]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-[methyl(p-tolylsulfonyl)amino]acetamide CAS Name: 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-[methyl(tosyl)amino]acetamide Formula: C22H31N4O3S+ MolecularWeight: 431.57154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O3S/c1-17-5-8-20(9-6-17)30(28,29)25(4)16-22(27)23-21-10-7-19(15-18(21)2)26-13-11-24(3)12-14-26/h5-10,15H,11-14,16H2,1-4H3,(H,23,27)/p+1