5-chloranyl-N-[(3R)-1-cyanopyrrolidin-3-yl]-N-[(3,5-dimethylphenyl)methyl]-2-methoxy-benzenesulfonamide

Systemtic Name: 5-chloranyl-N-[(3R)-1-cyanopyrrolidin-3-yl]-N-[(3,5-dimethylphenyl)methyl]-2-methoxy-benzenesulfonamide Openeye Name: 5-chloro-N-[(3R)-1-cyanopyrrolidin-3-yl]-N-[(3,5-dimethylphenyl)methyl]-2-methoxy-benzenesulfonamide CAS Name: 5-chloro-N-[(3R)-1-cyano-3-pyrrolidinyl]-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide IUPAC Name: 5-chloro-N-[(3R)-1-cyanopyrrolidin-3-yl]-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide Traditional Name: 5-chloro-N-[(3R)-1-cyanopyrrolidin-3-yl]-N-(3,5-dimethylbenzyl)-2-methoxy-benzenesulfonamide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O3S/c1-15-8-16(2)10-17(9-15)12-25(19-6-7-24(13-19)14-23)29(26,27)21-11-18(22)4-5-20(21)28-3/h4-5,8-11,19H,6-7,12-13H2,1-3H3/t19-/m1/s1