4-bromanyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]-2-(trifluoromethyloxy)benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]-2-(trifluoromethyloxy)benzenesulfonamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide CAS Name: 4-bromo-N-[1-(phenylmethyl)-3-pyrrolidinyl]-2-(trifluoromethoxy)benzenesulfonamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide Formula: C18H18BrF3N2O3S MolecularWeight: 479.31133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NS(=O)(=O)C2=C(C=C(C=C2)Br)OC(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC1NS(=O)(=O)C2=C(C=C(C=C2)Br)OC(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C18H18BrF3N2O3S/c19-14-6-7-17(16(10-14)27-18(20,21)22)28(25,26)23-15-8-9-24(12-15)11-13-4-2-1-3-5-13/h1-7,10,15,23H,8-9,11-12H2