4-[4-(3,5-dimethyl-4-oxidanyl-phenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 4-[4-(3,5-dimethyl-4-oxidanyl-phenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-(4-hydroxy-3,5-dimethyl-phenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[4-(4-hydroxy-3,5-dimethylphenyl)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[4-(4-hydroxy-3,5-dimethylphenyl)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-(4-hydroxy-3,5-dimethyl-phenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C2=CC=C(C=C2)S(=O)(=O)N3CCSC(C3C(=O)O)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C2=CC=C(C=C2)S(=O)(=O)N3CCSC(C3C(=O)O)(C)C

InChI

InChI=1S/C21H25NO5S2/c1-13-11-16(12-14(2)18(13)23)15-5-7-17(8-6-15)29(26,27)22-9-10-28-21(3,4)19(22)20(24)25/h5-8,11-12,19,23H,9-10H2,1-4H3,(H,24,25)