2-(2,5-dimethylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanamide

Systemtic Name: 2-(2,5-dimethylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanamide Openeye Name: 2-(2,5-dimethylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide CAS Name: 2-(2,5-dimethylphenoxy)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-(2,5-dimethylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-(2,5-dimethylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-16-4-5-17(2)20(14-16)28-15-21(25)22-18-6-8-19(9-7-18)29(26,27)24-12-10-23(3)11-13-24/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)/p+1