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

Systemtic Name: 5-bromanyl-N-[(3R)-1-cyanopyrrolidin-3-yl]-N-[(2-fluoranyl-3-methyl-phenyl)methyl]-2-methoxy-benzenesulfonamide Openeye Name: 5-bromo-N-[(3R)-1-cyanopyrrolidin-3-yl]-N-[(2-fluoro-3-methyl-phenyl)methyl]-2-methoxy-benzenesulfonamide CAS Name: 5-bromo-N-[(3R)-1-cyano-3-pyrrolidinyl]-N-[(2-fluoro-3-methylphenyl)methyl]-2-methoxybenzenesulfonamide IUPAC Name: 5-bromo-N-[(3R)-1-cyanopyrrolidin-3-yl]-N-[(2-fluoro-3-methylphenyl)methyl]-2-methoxybenzenesulfonamide Traditional Name: 5-bromo-N-[(3R)-1-cyanopyrrolidin-3-yl]-N-(2-fluoro-3-methyl-benzyl)-2-methoxy-benzenesulfonamide Formula: C20H21BrFN3O3S MolecularWeight: 482.366443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrFN3O3S/c1-14-4-3-5-15(20(14)22)11-25(17-8-9-24(12-17)13-23)29(26,27)19-10-16(21)6-7-18(19)28-2/h3-7,10,17H,8-9,11-12H2,1-2H3/t17-/m1/s1