2-[4-[2,2-dimethyl-3-(oxidanylcarbamoyl)thiomorpholin-4-yl]sulfonylphenyl]benzoic acid

Systemtic Name: 2-[4-[2,2-dimethyl-3-(oxidanylcarbamoyl)thiomorpholin-4-yl]sulfonylphenyl]benzoic acid Openeye Name: 2-[4-[3-(hydroxycarbamoyl)-2,2-dimethyl-thiomorpholin-4-yl]sulfonylphenyl]benzoic acid CAS Name: 2-[4-[[3-[(hydroxyamino)-oxomethyl]-2,2-dimethyl-4-thiomorpholinyl]sulfonyl]phenyl]benzoic acid IUPAC Name: 2-[4-[3-(hydroxycarbamoyl)-2,2-dimethylthiomorpholin-4-yl]sulfonylphenyl]benzoic acid Traditional Name: 2-[4-[3-(hydroxycarbamoyl)-2,2-dimethyl-thiomorpholin-4-yl]sulfonylphenyl]benzoic acid Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)NO)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)NO)C

InChI

InChI=1S/C20H22N2O6S2/c1-20(2)17(18(23)21-26)22(11-12-29-20)30(27,28)14-9-7-13(8-10-14)15-5-3-4-6-16(15)19(24)25/h3-10,17,26H,11-12H2,1-2H3,(H,21,23)(H,24,25)