3,4-dimethyl-5-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfonyl-benzoic acid

Systemtic Name: 3,4-dimethyl-5-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfonyl-benzoic acid Openeye Name: 3-[2-(isopropylamino)-2-oxo-ethyl]sulfonyl-4,5-dimethyl-benzoic acid CAS Name: 3,4-dimethyl-5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfonylbenzoic acid IUPAC Name: 3,4-dimethyl-5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfonylbenzoic acid Traditional Name: 3-[2-(isopropylamino)-2-keto-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)CC(=O)NC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-8(2)15-13(16)7-21(19,20)12-6-11(14(17)18)5-9(3)10(12)4/h5-6,8H,7H2,1-4H3,(H,15,16)(H,17,18)