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

Systemtic Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C22H30N5O4S+ MolecularWeight: 460.5697

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=CC=C2N3CC[NH+](CC3)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=CC=C2N3CC[NH+](CC3)C

InChI

InChI=1S/C22H29N5O4S/c1-17(28)23-18-8-10-19(11-9-18)32(30,31)26(3)16-22(29)24-20-6-4-5-7-21(20)27-14-12-25(2)13-15-27/h4-11H,12-16H2,1-3H3,(H,23,28)(H,24,29)/p+1