5-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfonyl-2-methyl-benzoic acid

Systemtic Name: 5-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfonyl-2-methyl-benzoic acid Openeye Name: 5-(3-amino-2-methyl-3-oxo-propyl)sulfonyl-2-methyl-benzoic acid CAS Name: 5-(3-amino-2-methyl-3-oxopropyl)sulfonyl-2-methylbenzoic acid IUPAC Name: 5-(3-amino-2-methyl-3-oxopropyl)sulfonyl-2-methylbenzoic acid Traditional Name: 5-(3-amino-3-keto-2-methyl-propyl)sulfonyl-2-methyl-benzoic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5S/c1-7-3-4-9(5-10(7)12(15)16)19(17,18)6-8(2)11(13)14/h3-5,8H,6H2,1-2H3,(H2,13,14)(H,15,16)