5-bromanyl-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-N-[[3-(trifluoromethyloxy)phenyl]methyl]benzenesulfonamide

Systemtic Name: 5-bromanyl-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-N-[[3-(trifluoromethyloxy)phenyl]methyl]benzenesulfonamide Openeye Name: 5-bromo-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide CAS Name: 5-bromo-N-[(3R)-1-cyano-3-pyrrolidinyl]-2-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide IUPAC Name: 5-bromo-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide Traditional Name: 5-bromo-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-N-[3-(trifluoromethoxy)benzyl]benzenesulfonamide Formula: C20H19BrF3N3O4S MolecularWeight: 534.34677

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)N(CC2=CC(=CC=C2)OC(F)(F)F)C3CCN(C3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)N(CC2=CC(=CC=C2)OC(F)(F)F)[C@@H]3CCN(C3)C#N

InChI

InChI=1S/C20H19BrF3N3O4S/c1-30-18-6-5-15(21)10-19(18)32(28,29)27(16-7-8-26(12-16)13-25)11-14-3-2-4-17(9-14)31-20(22,23)24/h2-6,9-10,16H,7-8,11-12H2,1H3/t16-/m1/s1