N-[(3R)-1-cyanopyrrolidin-3-yl]-2,5-dimethoxy-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide

Systemtic Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-2,5-dimethoxy-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide Openeye Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-2,5-dimethoxy-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide CAS Name: N-[(3R)-1-cyano-3-pyrrolidinyl]-2,5-dimethoxy-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide IUPAC Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-2,5-dimethoxy-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide Traditional Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-N-(4-mesylbenzyl)-2,5-dimethoxy-benzenesulfonamide Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S2/c1-29-18-6-9-20(30-2)21(12-18)32(27,28)24(17-10-11-23(14-17)15-22)13-16-4-7-19(8-5-16)31(3,25)26/h4-9,12,17H,10-11,13-14H2,1-3H3/t17-/m1/s1