2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propylcarbamoyl)ethanamide Openeye Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[oxo(propylamino)methyl]acetamide IUPAC Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide Traditional Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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