5-(2-azanyl-2-oxidanylidene-ethyl)sulfonyl-2,4-dimethyl-benzoic acid

Systemtic Name: 5-(2-azanyl-2-oxidanylidene-ethyl)sulfonyl-2,4-dimethyl-benzoic acid Openeye Name: 5-(2-amino-2-oxo-ethyl)sulfonyl-2,4-dimethyl-benzoic acid CAS Name: 5-(2-amino-2-oxoethyl)sulfonyl-2,4-dimethylbenzoic acid IUPAC Name: 5-(2-amino-2-oxoethyl)sulfonyl-2,4-dimethylbenzoic acid Traditional Name: 5-(2-amino-2-keto-ethyl)sulfonyl-2,4-dimethyl-benzoic acid Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC(=O)N)C

InChI

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