3-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]benzoic acid

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]benzoic acid Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]benzoic acid CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]benzoic acid IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]benzoic acid Traditional Name: 3-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]benzoic acid Formula: C15H9F6NO4S MolecularWeight: 413.291679

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)O

InChI

InChI=1S/C15H9F6NO4S/c16-14(17,18)9-5-10(15(19,20)21)7-12(6-9)27(25,26)22-11-3-1-2-8(4-11)13(23)24/h1-7,22H,(H,23,24)