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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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