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

Systemtic Name: N-[(2-bromanyl-5-methoxy-phenyl)methyl]-N-[(3R)-1-cyanopyrrolidin-3-yl]-2,5-dimethoxy-benzenesulfonamide Openeye Name: N-[(2-bromo-5-methoxy-phenyl)methyl]-N-[(3R)-1-cyanopyrrolidin-3-yl]-2,5-dimethoxy-benzenesulfonamide CAS Name: N-[(2-bromo-5-methoxyphenyl)methyl]-N-[(3R)-1-cyano-3-pyrrolidinyl]-2,5-dimethoxybenzenesulfonamide IUPAC Name: N-[(2-bromo-5-methoxyphenyl)methyl]-N-[(3R)-1-cyanopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide Traditional Name: N-(2-bromo-5-methoxy-benzyl)-N-[(3R)-1-cyanopyrrolidin-3-yl]-2,5-dimethoxy-benzenesulfonamide Formula: C21H24BrN3O5S MolecularWeight: 510.40136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CN(C2CCN(C2)C#N)S(=O)(=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CN([C@@H]2CCN(C2)C#N)S(=O)(=O)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H24BrN3O5S/c1-28-17-4-6-19(22)15(10-17)12-25(16-8-9-24(13-16)14-23)31(26,27)21-11-18(29-2)5-7-20(21)30-3/h4-7,10-11,16H,8-9,12-13H2,1-3H3/t16-/m1/s1