N-[(3R)-1-cyanopyrrolidin-3-yl]-N-[(3-fluorophenyl)methyl]-2,5-dimethoxy-benzenesulfonamide

Systemtic Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-N-[(3-fluorophenyl)methyl]-2,5-dimethoxy-benzenesulfonamide Openeye Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-N-[(3-fluorophenyl)methyl]-2,5-dimethoxy-benzenesulfonamide CAS Name: N-[(3R)-1-cyano-3-pyrrolidinyl]-N-[(3-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide IUPAC Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-N-[(3-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide Traditional Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-N-(3-fluorobenzyl)-2,5-dimethoxy-benzenesulfonamide Formula: C20H22FN3O4S MolecularWeight: 419.469783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N(CC2=CC(=CC=C2)F)C3CCN(C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O4S/c1-27-18-6-7-19(28-2)20(11-18)29(25,26)24(17-8-9-23(13-17)14-22)12-15-4-3-5-16(21)10-15/h3-7,10-11,17H,8-9,12-13H2,1-2H3/t17-/m1/s1