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

Systemtic Name: 4-[6-[4-methoxy-3,5-bis(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Openeye Name: 4-[6-[4-methoxy-3,5-bis(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide CAS Name: 4-[6-[4-methoxy-3,5-bis(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide IUPAC Name: 4-[6-[4-methoxy-3,5-bis(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Traditional Name: 4-[6-[4-methoxy-3,5-bis(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Formula: C22H15F6NO5S MolecularWeight: 519.413619

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(F)(F)F)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)N)OCO3)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1C(F)(F)F)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)N)OCO3)C(F)(F)F

InChI

InChI=1S/C22H15F6NO5S/c1-32-20-16(21(23,24)25)6-12(7-17(20)22(26,27)28)15-9-19-18(33-10-34-19)8-14(15)11-2-4-13(5-3-11)35(29,30)31/h2-9H,10H2,1H3,(H2,29,30,31)