4-[[5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazol-3-yl]carbonylamino]butanoic acid

Systemtic Name: 4-[[5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazol-3-yl]carbonylamino]butanoic acid Openeye Name: 4-[[5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonyl]amino]butanoic acid CAS Name: 4-[[[5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)-3-pyrazolyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonyl]amino]butanoic acid Traditional Name: 4-[[5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonyl]amino]butyric acid Formula: C16H12Cl2F6N4O4S MolecularWeight: 541.252299

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C(=O)NCCCC(=O)O)S(=O)C(F)(F)F)N)Cl)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C(=O)NCCCC(=O)O)S(=O)C(F)(F)F)N)Cl)C(F)(F)F

InChI

InChI=1S/C16H12Cl2F6N4O4S/c17-7-4-6(15(19,20)21)5-8(18)11(7)28-13(25)12(33(32)16(22,23)24)10(27-28)14(31)26-3-1-2-9(29)30/h4-5H,1-3,25H2,(H,26,31)(H,29,30)