5-chloranyl-N-[(3R,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-2-methoxy-benzenesulfonamide

Systemtic Name: 5-chloranyl-N-[(3R,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-2-methoxy-benzenesulfonamide Openeye Name: 5-chloro-N-[(3R,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-2-methoxy-benzenesulfonamide CAS Name: 5-chloro-N-[(3R,5S)-1-cyano-5-methyl-3-pyrrolidinyl]-2-methoxybenzenesulfonamide IUPAC Name: 5-chloro-N-[(3R,5S)-1-cyano-5-methylpyrrolidin-3-yl]-2-methoxybenzenesulfonamide Traditional Name: 5-chloro-N-[(3R,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-2-methoxy-benzenesulfonamide Formula: C13H16ClN3O3S MolecularWeight: 329.80244

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN1C#N)NS(=O)(=O)C2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

C[C@H]1C[C@H](CN1C#N)NS(=O)(=O)C2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C13H16ClN3O3S/c1-9-5-11(7-17(9)8-15)16-21(18,19)13-6-10(14)3-4-12(13)20-2/h3-4,6,9,11,16H,5,7H2,1-2H3/t9-,11+/m0/s1