2-[(5-chloranyl-2-phenyl-phenyl)sulfonylmethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-2-oxidanyl-propanoic acid

Systemtic Name: 2-[(5-chloranyl-2-phenyl-phenyl)sulfonylmethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-2-oxidanyl-propanoic acid Openeye Name: 2-[(5-chloro-2-phenyl-phenyl)sulfonylmethyl]-2-hydroxy-3-[(5-methylisoxazol-3-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-2-hydroxy-3-[(5-methyl-3-isoxazolyl)methylthio]propanoic acid IUPAC Name: 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-2-hydroxy-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(5-chloro-2-phenyl-phenyl)sulfonylmethyl]-2-hydroxy-3-[(5-methylisoxazol-3-yl)methylthio]propionic acid Formula: C21H20ClNO6S2 MolecularWeight: 481.9696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSCC(CS(=O)(=O)C2=C(C=CC(=C2)Cl)C3=CC=CC=C3)(C(=O)O)O

Isomeric SMILES

CC1=CC(=NO1)CSCC(CS(=O)(=O)C2=C(C=CC(=C2)Cl)C3=CC=CC=C3)(C(=O)O)O

InChI

InChI=1S/C21H20ClNO6S2/c1-14-9-17(23-29-14)11-30-12-21(26,20(24)25)13-31(27,28)19-10-16(22)7-8-18(19)15-5-3-2-4-6-15/h2-10,26H,11-13H2,1H3,(H,24,25)