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

Systemtic Name: 3-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-4,5-dimethyl-benzoic acid Openeye Name: 3-[2-(dimethylamino)-1-methyl-2-oxo-ethyl]sulfonyl-4,5-dimethyl-benzoic acid CAS Name: 3-[1-(dimethylamino)-1-oxopropan-2-yl]sulfonyl-4,5-dimethylbenzoic acid IUPAC Name: 3-[1-(dimethylamino)-1-oxopropan-2-yl]sulfonyl-4,5-dimethylbenzoic acid Traditional Name: 3-[2-(dimethylamino)-2-keto-1-methyl-ethyl]sulfonyl-4,5-dimethyl-benzoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-8-6-11(14(17)18)7-12(9(8)2)21(19,20)10(3)13(16)15(4)5/h6-7,10H,1-5H3,(H,17,18)