2-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-ethyl-ethanamide

Systemtic Name: 2-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-ethyl-ethanamide Openeye Name: 2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-ethyl-acetamide CAS Name: 2-[[2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-ethylacetamide IUPAC Name: 2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-ethylacetamide Traditional Name: 2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-ethyl-acetamide Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCNC(=O)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C18H28N4O4S/c1-4-19-17(23)12-20-18(24)13-21-7-9-22(10-8-21)27(25,26)16-6-5-14(2)15(3)11-16/h5-6,11H,4,7-10,12-13H2,1-3H3,(H,19,23)(H,20,24)/p+1