4-methyl-3-[2-[methyl(propan-2-yl)amino]-2-oxidanylidene-ethyl]sulfonyl-benzoic acid

Systemtic Name: 4-methyl-3-[2-[methyl(propan-2-yl)amino]-2-oxidanylidene-ethyl]sulfonyl-benzoic acid Openeye Name: 3-[2-[isopropyl(methyl)amino]-2-oxo-ethyl]sulfonyl-4-methyl-benzoic acid CAS Name: 4-methyl-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 4-methyl-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfonylbenzoic acid Traditional Name: 3-[2-[isopropyl(methyl)amino]-2-keto-ethyl]sulfonyl-4-methyl-benzoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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