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

Systemtic Name: 4-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[4-(2,4-dimethoxy-5-pyrimidinyl)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C19H23N3O6S2 MolecularWeight: 453.53242

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(N=C3OC)OC)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(N=C3OC)OC)C(=O)O)C

InChI

InChI=1S/C19H23N3O6S2/c1-19(2)15(17(23)24)22(9-10-29-19)30(25,26)13-7-5-12(6-8-13)14-11-20-18(28-4)21-16(14)27-3/h5-8,11,15H,9-10H2,1-4H3,(H,23,24)