N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C17H16F2N2O6S2 MolecularWeight: 446.445546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

InChI

InChI=1S/C17H16F2N2O6S2/c18-17(19)26-15-8-3-12(11-16(15)27-17)20-28(22,23)13-4-6-14(7-5-13)29(24,25)21-9-1-2-10-21/h3-8,11,20H,1-2,9-10H2