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

Systemtic Name: N-[6-[3-methyl-4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Openeye Name: N-[6-[3-methyl-4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide CAS Name: N-[6-[3-methyl-4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide IUPAC Name: N-[6-[3-methyl-4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Traditional Name: N-[6-[3-methyl-4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Formula: C21H16F3NO4S MolecularWeight: 435.41625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC3=C(C=C2NS(=O)(=O)C4=CC=CC=C4)OCO3)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC3=C(C=C2NS(=O)(=O)C4=CC=CC=C4)OCO3)C(F)(F)F

InChI

InChI=1S/C21H16F3NO4S/c1-13-9-14(7-8-17(13)21(22,23)24)16-10-19-20(29-12-28-19)11-18(16)25-30(26,27)15-5-3-2-4-6-15/h2-11,25H,12H2,1H3