3-bromanyl-N-[(3R)-1-cyanopyrrolidin-3-yl]-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 3-bromanyl-N-[(3R)-1-cyanopyrrolidin-3-yl]-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-3-bromo-N-[(3R)-1-cyanopyrrolidin-3-yl]benzenesulfonamide CAS Name: 3-bromo-N-[(3R)-1-cyano-3-pyrrolidinyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-3-bromo-N-[(3R)-1-cyanopyrrolidin-3-yl]benzenesulfonamide Traditional Name: N-benzyl-3-bromo-N-[(3R)-1-cyanopyrrolidin-3-yl]benzenesulfonamide Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N(CC2=CC=CC=C2)S(=O)(=O)C3=CC(=CC=C3)Br)C#N

Isomeric SMILES

C1CN(C[C@@H]1N(CC2=CC=CC=C2)S(=O)(=O)C3=CC(=CC=C3)Br)C#N

InChI

InChI=1S/C18H18BrN3O2S/c19-16-7-4-8-18(11-16)25(23,24)22(12-15-5-2-1-3-6-15)17-9-10-21(13-17)14-20/h1-8,11,17H,9-10,12-13H2/t17-/m1/s1