5-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfonyl-2,4-dimethyl-benzoic acid

Systemtic Name: 5-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfonyl-2,4-dimethyl-benzoic acid Openeye Name: 5-(2-amino-1-methyl-2-oxo-ethyl)sulfonyl-2,4-dimethyl-benzoic acid CAS Name: 5-(1-amino-1-oxopropan-2-yl)sulfonyl-2,4-dimethylbenzoic acid IUPAC Name: 5-(1-amino-1-oxopropan-2-yl)sulfonyl-2,4-dimethylbenzoic acid Traditional Name: 5-(2-amino-2-keto-1-methyl-ethyl)sulfonyl-2,4-dimethyl-benzoic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5S/c1-6-4-7(2)10(5-9(6)12(15)16)19(17,18)8(3)11(13)14/h4-5,8H,1-3H3,(H2,13,14)(H,15,16)