2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-4-oxidanyl-5-pyrimidin-2-ylsulfanyl-pentanoic acid

Systemtic Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-4-oxidanyl-5-pyrimidin-2-ylsulfanyl-pentanoic acid Openeye Name: 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyrimidin-2-ylsulfanyl-pentanoic acid CAS Name: 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(2-pyrimidinylthio)pentanoic acid IUPAC Name: 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyrimidin-2-ylsulfanylpentanoic acid Traditional Name: 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(2-pyrimidylthio)valeric acid Formula: C22H23N3O6S2 MolecularWeight: 489.56452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC(CSC3=NC=CC=N3)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC(CSC3=NC=CC=N3)O)C(=O)O

InChI

InChI=1S/C22H23N3O6S2/c1-31-18-7-3-15(4-8-18)16-5-9-19(10-6-16)33(29,30)25-20(21(27)28)13-17(26)14-32-22-23-11-2-12-24-22/h2-12,17,20,25-26H,13-14H2,1H3,(H,27,28)