2-methyl-5-[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]sulfonyl-benzoic acid

Systemtic Name: 2-methyl-5-[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]sulfonyl-benzoic acid Openeye Name: 5-[2-(isopropylamino)-1-methyl-2-oxo-ethyl]sulfonyl-2-methyl-benzoic acid CAS Name: 2-methyl-5-[1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfonylbenzoic acid IUPAC Name: 2-methyl-5-[1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfonylbenzoic acid Traditional Name: 5-[2-(isopropylamino)-2-keto-1-methyl-ethyl]sulfonyl-2-methyl-benzoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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