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

Systemtic Name: 4-[4-(3,4-dimethoxyphenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-(3,4-dimethoxyphenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[4-(3,4-dimethoxyphenyl)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[4-(3,4-dimethoxyphenyl)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-(3,4-dimethoxyphenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C21H25NO6S2 MolecularWeight: 451.5563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6S2/c1-21(2)19(20(23)24)22(11-12-29-21)30(25,26)16-8-5-14(6-9-16)15-7-10-17(27-3)18(13-15)28-4/h5-10,13,19H,11-12H2,1-4H3,(H,23,24)