2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-[2-oxidanylidene-2-(propylamino)ethyl]ethanamide

Systemtic Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-[2-oxidanylidene-2-(propylamino)ethyl]ethanamide Openeye Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide IUPAC Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide Traditional Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2-keto-2-(propylamino)ethyl]-N-methyl-acetamide Formula: C20H33N4O4S+ MolecularWeight: 425.56542

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C)C

Isomeric SMILES

CCCNC(=O)CN(C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C)C

InChI

InChI=1S/C20H32N4O4S/c1-5-8-21-19(25)14-22(4)20(26)15-23-9-11-24(12-10-23)29(27,28)18-7-6-16(2)13-17(18)3/h6-7,13H,5,8-12,14-15H2,1-4H3,(H,21,25)/p+1