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

Systemtic Name: 4-bromanyl-N-ethyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]-2-(trifluoromethyloxy)benzenesulfonamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-4-bromo-N-ethyl-2-(trifluoromethoxy)benzenesulfonamide CAS Name: 4-bromo-N-ethyl-N-[1-(phenylmethyl)-3-pyrrolidinyl]-2-(trifluoromethoxy)benzenesulfonamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-4-bromo-N-ethyl-2-(trifluoromethoxy)benzenesulfonamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-4-bromo-N-ethyl-2-(trifluoromethoxy)benzenesulfonamide Formula: C20H22BrF3N2O3S MolecularWeight: 507.36449

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCN(C1)CC2=CC=CC=C2)S(=O)(=O)C3=C(C=C(C=C3)Br)OC(F)(F)F

Isomeric SMILES

CCN(C1CCN(C1)CC2=CC=CC=C2)S(=O)(=O)C3=C(C=C(C=C3)Br)OC(F)(F)F

InChI

InChI=1S/C20H22BrF3N2O3S/c1-2-26(17-10-11-25(14-17)13-15-6-4-3-5-7-15)30(27,28)19-9-8-16(21)12-18(19)29-20(22,23)24/h3-9,12,17H,2,10-11,13-14H2,1H3