3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[(6-propylsulfonylpyrimidin-4-yl)amino]propanoic acid

Systemtic Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[(6-propylsulfonylpyrimidin-4-yl)amino]propanoic acid Openeye Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[(6-propylsulfonylpyrimidin-4-yl)amino]propanoic acid CAS Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[(6-propylsulfonyl-4-pyrimidinyl)amino]propanoic acid IUPAC Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[(6-propylsulfonylpyrimidin-4-yl)amino]propanoic acid Traditional Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[(6-propylsulfonylpyrimidin-4-yl)amino]propionic acid Formula: C24H27N3O6S MolecularWeight: 485.55268

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=NC(=C1)NC(CC2=CC=C(C=C2)C3=C(C=CC=C3OC)OC)C(=O)O

Isomeric SMILES

CCCS(=O)(=O)C1=NC=NC(=C1)NC(CC2=CC=C(C=C2)C3=C(C=CC=C3OC)OC)C(=O)O

InChI

InChI=1S/C24H27N3O6S/c1-4-12-34(30,31)22-14-21(25-15-26-22)27-18(24(28)29)13-16-8-10-17(11-9-16)23-19(32-2)6-5-7-20(23)33-3/h5-11,14-15,18H,4,12-13H2,1-3H3,(H,28,29)(H,25,26,27)