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

Systemtic Name: 4-[6-[3-chloranyl-4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Openeye Name: 4-[6-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide CAS Name: 4-[6-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide IUPAC Name: 4-[6-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Traditional Name: 4-[6-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Formula: C20H13ClF3NO4S MolecularWeight: 455.83473

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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(=C(C=C4)C(F)(F)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H13ClF3NO4S/c21-17-7-12(3-6-16(17)20(22,23)24)15-9-19-18(28-10-29-19)8-14(15)11-1-4-13(5-2-11)30(25,26)27/h1-9H,10H2,(H2,25,26,27)