5-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfonyl-2,4-dimethyl-benzoic acid

Systemtic Name: 5-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfonyl-2,4-dimethyl-benzoic acid Openeye Name: 5-(3-amino-2-methyl-3-oxo-propyl)sulfonyl-2,4-dimethyl-benzoic acid CAS Name: 5-(3-amino-2-methyl-3-oxopropyl)sulfonyl-2,4-dimethylbenzoic acid IUPAC Name: 5-(3-amino-2-methyl-3-oxopropyl)sulfonyl-2,4-dimethylbenzoic acid Traditional Name: 5-(3-amino-3-keto-2-methyl-propyl)sulfonyl-2,4-dimethyl-benzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5S/c1-7-4-8(2)11(5-10(7)13(16)17)20(18,19)6-9(3)12(14)15/h4-5,9H,6H2,1-3H3,(H2,14,15)(H,16,17)