3-methyl-2-oxidanylidene-1,3-dihydroisoindol-2-ium-1-sulfonamide

Systemtic Name: 3-methyl-2-oxidanylidene-1,3-dihydroisoindol-2-ium-1-sulfonamide Openeye Name: 3-methyl-2-oxo-isoindolin-2-ium-1-sulfonamide CAS Name: 3-methyl-2-oxo-1,3-dihydroisoindol-2-ium-1-sulfonamide IUPAC Name: 3-methyl-2-oxo-1,3-dihydroisoindol-2-ium-1-sulfonamide Traditional Name: 2-keto-3-methyl-isoindolin-2-ium-1-sulfonamide Formula: C9H11N2O3S+ MolecularWeight: 227.26024

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2C([N+]1=O)S(=O)(=O)N

Isomeric SMILES

CC1C2=CC=CC=C2C([N+]1=O)S(=O)(=O)N

InChI

InChI=1S/C9H11N2O3S/c1-6-7-4-2-3-5-8(7)9(11(6)12)15(10,13)14/h2-6,9H,1H3,(H2,10,13,14)/q+1