3-[2-[2-chloranyl-4-(trifluoromethyl)phenyl]sulfonylethanoylamino]benzoic acid

Systemtic Name: 3-[2-[2-chloranyl-4-(trifluoromethyl)phenyl]sulfonylethanoylamino]benzoic acid Openeye Name: 3-[[2-[2-chloro-4-(trifluoromethyl)phenyl]sulfonylacetyl]amino]benzoic acid CAS Name: 3-[[2-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[2-chloro-4-(trifluoromethyl)phenyl]sulfonylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[2-chloro-4-(trifluoromethyl)phenyl]sulfonylacetyl]amino]benzoic acid Formula: C16H11ClF3NO5S MolecularWeight: 421.77545

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CS(=O)(=O)C2=C(C=C(C=C2)C(F)(F)F)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CS(=O)(=O)C2=C(C=C(C=C2)C(F)(F)F)Cl)C(=O)O

InChI

InChI=1S/C16H11ClF3NO5S/c17-12-7-10(16(18,19)20)4-5-13(12)27(25,26)8-14(22)21-11-3-1-2-9(6-11)15(23)24/h1-7H,8H2,(H,21,22)(H,23,24)