4-[6-[3,5-bis(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide

Systemtic Name: 4-[6-[3,5-bis(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Openeye Name: 4-[6-[3,5-bis(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide CAS Name: 4-[6-[3,5-bis(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide IUPAC Name: 4-[6-[3,5-bis(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Traditional Name: 4-[6-[3,5-bis(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Formula: C21H13F6NO4S MolecularWeight: 489.387639

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H13F6NO4S/c22-20(23,24)13-5-12(6-14(7-13)21(25,26)27)17-9-19-18(31-10-32-19)8-16(17)11-1-3-15(4-2-11)33(28,29)30/h1-9H,10H2,(H2,28,29,30)