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

Systemtic Name: 5-bromanyl-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-5-bromo-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-benzenesulfonamide CAS Name: 5-bromo-N-[(3R)-1-cyano-3-pyrrolidinyl]-2-methoxy-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-5-bromo-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxybenzenesulfonamide Traditional Name: N-benzyl-5-bromo-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-benzenesulfonamide Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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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)C3CCN(C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O3S/c1-26-18-8-7-16(20)11-19(18)27(24,25)23(12-15-5-3-2-4-6-15)17-9-10-22(13-17)14-21/h2-8,11,17H,9-10,12-13H2,1H3/t17-/m1/s1