5-chloranyl-N-[(3R)-1-cyanopyrrolidin-3-yl]-N-[(3-fluoranyl-4-methyl-phenyl)methyl]-2-methoxy-benzenesulfonamide

Systemtic Name: 5-chloranyl-N-[(3R)-1-cyanopyrrolidin-3-yl]-N-[(3-fluoranyl-4-methyl-phenyl)methyl]-2-methoxy-benzenesulfonamide Openeye Name: 5-chloro-N-[(3R)-1-cyanopyrrolidin-3-yl]-N-[(3-fluoro-4-methyl-phenyl)methyl]-2-methoxy-benzenesulfonamide CAS Name: 5-chloro-N-[(3R)-1-cyano-3-pyrrolidinyl]-N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxybenzenesulfonamide IUPAC Name: 5-chloro-N-[(3R)-1-cyanopyrrolidin-3-yl]-N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxybenzenesulfonamide Traditional Name: 5-chloro-N-[(3R)-1-cyanopyrrolidin-3-yl]-N-(3-fluoro-4-methyl-benzyl)-2-methoxy-benzenesulfonamide Formula: C20H21ClFN3O3S MolecularWeight: 437.915443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClFN3O3S/c1-14-3-4-15(9-18(14)22)11-25(17-7-8-24(12-17)13-23)29(26,27)20-10-16(21)5-6-19(20)28-2/h3-6,9-10,17H,7-8,11-12H2,1-2H3/t17-/m1/s1