3-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-methyl-benzoic acid Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-methyl-benzoic acid CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-methylbenzoic acid IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-methylbenzoic acid Traditional Name: 3-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-methyl-benzoic acid Formula: C16H11F6NO4S MolecularWeight: 427.318259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H11F6NO4S/c1-8-2-3-9(14(24)25)4-13(8)23-28(26,27)12-6-10(15(17,18)19)5-11(7-12)16(20,21)22/h2-7,23H,1H3,(H,24,25)