(2S,4S)-1-(4-chloranyl-3-methylsulfonyl-phenyl)-N-(cyanomethyl)-4-methyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4S)-1-(4-chloranyl-3-methylsulfonyl-phenyl)-N-(cyanomethyl)-4-methyl-pyrrolidine-2-carboxamide Openeye Name: (2S,4S)-1-(4-chloro-3-methylsulfonyl-phenyl)-N-(cyanomethyl)-4-methyl-pyrrolidine-2-carboxamide CAS Name: (2S,4S)-1-(4-chloro-3-methylsulfonylphenyl)-N-(cyanomethyl)-4-methyl-2-pyrrolidinecarboxamide IUPAC Name: (2S,4S)-1-(4-chloro-3-methylsulfonylphenyl)-N-(cyanomethyl)-4-methylpyrrolidine-2-carboxamide Traditional Name: (2S,4S)-1-(4-chloro-3-mesyl-phenyl)-N-(cyanomethyl)-4-methyl-pyrrolidine-2-carboxamide Formula: C15H18ClN3O3S MolecularWeight: 355.83972

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(C1)C2=CC(=C(C=C2)Cl)S(=O)(=O)C)C(=O)NCC#N

Isomeric SMILES

C[C@H]1C[C@H](N(C1)C2=CC(=C(C=C2)Cl)S(=O)(=O)C)C(=O)NCC#N

InChI

InChI=1S/C15H18ClN3O3S/c1-10-7-13(15(20)18-6-5-17)19(9-10)11-3-4-12(16)14(8-11)23(2,21)22/h3-4,8,10,13H,6-7,9H2,1-2H3,(H,18,20)/t10-,13-/m0/s1