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

Systemtic Name: 5-bromanyl-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide Openeye Name: 5-bromo-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide CAS Name: 5-bromo-N-[(3R)-1-cyano-3-pyrrolidinyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide IUPAC Name: 5-bromo-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide Traditional Name: 5-bromo-N-[(3R)-1-cyanopyrrolidin-3-yl]-N-m-anisyl-2-methoxy-benzenesulfonamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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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)C3CCN(C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O4S/c1-27-18-5-3-4-15(10-18)12-24(17-8-9-23(13-17)14-22)29(25,26)20-11-16(21)6-7-19(20)28-2/h3-7,10-11,17H,8-9,12-13H2,1-2H3/t17-/m1/s1