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

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)sulfonyl-4,5-dimethyl-benzoic acid Openeye Name: 3-(2-amino-2-oxo-ethyl)sulfonyl-4,5-dimethyl-benzoic acid CAS Name: 3-(2-amino-2-oxoethyl)sulfonyl-4,5-dimethylbenzoic acid IUPAC Name: 3-(2-amino-2-oxoethyl)sulfonyl-4,5-dimethylbenzoic acid Traditional Name: 3-(2-amino-2-keto-ethyl)sulfonyl-4,5-dimethyl-benzoic acid Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO5S/c1-6-3-8(11(14)15)4-9(7(6)2)18(16,17)5-10(12)13/h3-4H,5H2,1-2H3,(H2,12,13)(H,14,15)