N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2-(2-methylphenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)C)OC

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)C)OC

InChI

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