5-bromanyl-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide

Systemtic Name: 5-bromanyl-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide Openeye Name: 5-bromo-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-N-(p-tolylmethyl)benzenesulfonamide CAS Name: 5-bromo-N-[(3R)-1-cyano-3-pyrrolidinyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide IUPAC Name: 5-bromo-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide Traditional Name: 5-bromo-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-N-(4-methylbenzyl)benzenesulfonamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C2CCN(C2)C#N)S(=O)(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN([C@@H]2CCN(C2)C#N)S(=O)(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C20H22BrN3O3S/c1-15-3-5-16(6-4-15)12-24(18-9-10-23(13-18)14-22)28(25,26)20-11-17(21)7-8-19(20)27-2/h3-8,11,18H,9-10,12-13H2,1-2H3/t18-/m1/s1