N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(4-methylphenyl)-2-oxidanylidene-ethanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(4-methylphenyl)-2-oxidanylidene-ethanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-oxo-2-(p-tolyl)acetamide CAS Name: N-[4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-(4-methylphenyl)-2-oxoacetamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(4-methylphenyl)-2-oxoacetamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-keto-2-(p-tolyl)acetamide Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H25N3O4S/c1-3-23-12-14-24(15-13-23)29(27,28)19-10-8-18(9-11-19)22-21(26)20(25)17-6-4-16(2)5-7-17/h4-11H,3,12-15H2,1-2H3,(H,22,26)/p+1