4-methyl-3-[2-(methylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid

Systemtic Name: 4-methyl-3-[2-(methylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid Openeye Name: 4-methyl-3-[2-(methylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 4-methyl-3-[2-(methylamino)-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 4-methyl-3-[2-(methylamino)-2-oxoethyl]sulfonylbenzoic acid Traditional Name: 3-[2-keto-2-(methylamino)ethyl]sulfonyl-4-methyl-benzoic acid Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC(=O)NC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC(=O)NC

InChI

InChI=1S/C11H13NO5S/c1-7-3-4-8(11(14)15)5-9(7)18(16,17)6-10(13)12-2/h3-5H,6H2,1-2H3,(H,12,13)(H,14,15)