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

Systemtic Name: 2,2-dimethyl-4-[4-(4-phenoxyphenyl)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[4-(4-phenoxyphenyl)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[4-(4-phenoxyphenyl)phenyl]sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[4-(4-phenoxyphenyl)phenyl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-[4-(4-phenoxyphenyl)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C25H25NO5S2 MolecularWeight: 483.5997

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C25H25NO5S2/c1-25(2)23(24(27)28)26(16-17-32-25)33(29,30)22-14-10-19(11-15-22)18-8-12-21(13-9-18)31-20-6-4-3-5-7-20/h3-15,23H,16-17H2,1-2H3,(H,27,28)