2-[2-bromanyl-4-[[(3,4-dichlorophenyl)-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]amino]methyl]phenyl]-2,2-bis(fluoranyl)ethanoic acid

Systemtic Name: 2-[2-bromanyl-4-[[(3,4-dichlorophenyl)-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]amino]methyl]phenyl]-2,2-bis(fluoranyl)ethanoic acid Openeye Name: 2-[2-bromo-4-[(3,4-dichloro-N-[5-(4-methylsulfonylphenyl)oxazol-2-yl]anilino)methyl]phenyl]-2,2-difluoro-acetic acid CAS Name: 2-[2-bromo-4-[(3,4-dichloro-N-[5-(4-methylsulfonylphenyl)-2-oxazolyl]anilino)methyl]phenyl]-2,2-difluoroacetic acid IUPAC Name: 2-[2-bromo-4-[(3,4-dichloro-N-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]anilino)methyl]phenyl]-2,2-difluoroacetic acid Traditional Name: 2-[2-bromo-4-[(3,4-dichloro-N-[5-(4-mesylphenyl)oxazol-2-yl]anilino)methyl]phenyl]-2,2-difluoro-acetic acid Formula: C25H17BrCl2F2N2O5S MolecularWeight: 646.284686

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(O2)N(CC3=CC(=C(C=C3)C(C(=O)O)(F)F)Br)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(O2)N(CC3=CC(=C(C=C3)C(C(=O)O)(F)F)Br)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H17BrCl2F2N2O5S/c1-38(35,36)17-6-3-15(4-7-17)22-12-31-24(37-22)32(16-5-9-20(27)21(28)11-16)13-14-2-8-18(19(26)10-14)25(29,30)23(33)34/h2-12H,13H2,1H3,(H,33,34)