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

Systemtic Name: 3-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-4-methoxy-benzoic acid Openeye Name: 3-[2-(dimethylamino)-1-methyl-2-oxo-ethyl]sulfonyl-4-methoxy-benzoic acid CAS Name: 3-[1-(dimethylamino)-1-oxopropan-2-yl]sulfonyl-4-methoxybenzoic acid IUPAC Name: 3-[1-(dimethylamino)-1-oxopropan-2-yl]sulfonyl-4-methoxybenzoic acid Traditional Name: 3-[2-(dimethylamino)-2-keto-1-methyl-ethyl]sulfonyl-4-methoxy-benzoic acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO6S/c1-8(12(15)14(2)3)21(18,19)11-7-9(13(16)17)5-6-10(11)20-4/h5-8H,1-4H3,(H,16,17)