3-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfonyl-4,5-dimethyl-benzoic acid

Systemtic Name: 3-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfonyl-4,5-dimethyl-benzoic acid Openeye Name: 3-(2-amino-1-methyl-2-oxo-ethyl)sulfonyl-4,5-dimethyl-benzoic acid CAS Name: 3-(1-amino-1-oxopropan-2-yl)sulfonyl-4,5-dimethylbenzoic acid IUPAC Name: 3-(1-amino-1-oxopropan-2-yl)sulfonyl-4,5-dimethylbenzoic acid Traditional Name: 3-(2-amino-2-keto-1-methyl-ethyl)sulfonyl-4,5-dimethyl-benzoic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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