2-[ethanoyl-(4-methylphenyl)sulfonyl-amino]-3-(5-oxidanylidene-2H-1,2,3-oxadiazol-3-ium-3-yl)propanoic acid

Systemtic Name: 2-[ethanoyl-(4-methylphenyl)sulfonyl-amino]-3-(5-oxidanylidene-2H-1,2,3-oxadiazol-3-ium-3-yl)propanoic acid Openeye Name: 2-[acetyl(p-tolylsulfonyl)amino]-3-(5-oxo-2H-oxadiazol-3-ium-3-yl)propanoic acid CAS Name: 2-[acetyl-(4-methylphenyl)sulfonylamino]-3-(5-oxo-2H-oxadiazol-3-ium-3-yl)propanoic acid IUPAC Name: 2-[acetyl-(4-methylphenyl)sulfonylamino]-3-(5-oxo-2H-oxadiazol-3-ium-3-yl)propanoic acid Traditional Name: 2-[acetyl(tosyl)amino]-3-(5-keto-2H-oxadiazol-3-ium-3-yl)propionic acid Formula: C14H16N3O7S+ MolecularWeight: 370.35774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C(C[N+]2=CC(=O)ON2)C(=O)O)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C(C[N+]2=CC(=O)ON2)C(=O)O)C(=O)C

InChI

InChI=1S/C14H15N3O7S/c1-9-3-5-11(6-4-9)25(22,23)17(10(2)18)12(14(20)21)7-16-8-13(19)24-15-16/h3-6,8,12H,7H2,1-2H3,(H-,15,19,20,21)/p+1