4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-(phenylsulfonyl)butanoic acid

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-(phenylsulfonyl)butanoic acid Openeye Name: 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]butanoic acid CAS Name: 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butanoic acid IUPAC Name: 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoic acid Traditional Name: 4-besyl-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]butyric acid Formula: C16H13ClF3NO4S MolecularWeight: 407.79193

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)O)C2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)O)C2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C16H13ClF3NO4S/c17-12-8-10(16(18,19)20)9-21-15(12)13(6-7-14(22)23)26(24,25)11-4-2-1-3-5-11/h1-5,8-9,13H,6-7H2,(H,22,23)