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

Systemtic Name: 2-[(2-methylphenyl)-methylsulfonyl-amino]-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-(2-methyl-N-methylsulfonyl-anilino)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-(2-methyl-N-methylsulfonylanilino)-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-(2-methyl-N-methylsulfonylanilino)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-(N-mesyl-2-methyl-anilino)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)NC2=CC=CC=C2N3CC[NH+](CC3)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)NC2=CC=CC=C2N3CC[NH+](CC3)C)S(=O)(=O)C

InChI

InChI=1S/C21H28N4O3S/c1-17-8-4-6-10-19(17)25(29(3,27)28)16-21(26)22-18-9-5-7-11-20(18)24-14-12-23(2)13-15-24/h4-11H,12-16H2,1-3H3,(H,22,26)/p+1