2-(2,3-dimethylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanamide

Systemtic Name: 2-(2,3-dimethylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanamide Openeye Name: 2-(2,3-dimethylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide CAS Name: 2-(2,3-dimethylphenoxy)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-(2,3-dimethylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-(2,3-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=C(C(=CC=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

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

InChI

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