4-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethyl-3-(phenylsulfonyl)thiomorpholine-3-carboxylic acid

Systemtic Name: 4-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethyl-3-(phenylsulfonyl)thiomorpholine-3-carboxylic acid Openeye Name: 3-(benzenesulfonyl)-4-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 3-(benzenesulfonyl)-4-(2,4-dimethoxy-5-pyrimidinyl)-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 3-(benzenesulfonyl)-4-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 3-besyl-4-(2,4-dimethoxypyrimidin-5-yl)-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)C2=CN=C(N=C2OC)OC)(C(=O)O)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(C(N(CCS1)C2=CN=C(N=C2OC)OC)(C(=O)O)S(=O)(=O)C3=CC=CC=C3)C

InChI

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