(2S,4R)-1-[(4-chlorophenyl)methyl]-N,N-dimethyl-4-pyridin-2-ylsulfanyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-1-[(4-chlorophenyl)methyl]-N,N-dimethyl-4-pyridin-2-ylsulfanyl-pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-1-[(4-chlorophenyl)methyl]-N,N-dimethyl-4-(2-pyridylsulfanyl)pyrrolidine-2-carboxamide CAS Name: (2S,4R)-1-[(4-chlorophenyl)methyl]-N,N-dimethyl-4-(2-pyridinylthio)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-1-[(4-chlorophenyl)methyl]-N,N-dimethyl-4-pyridin-2-ylsulfanylpyrrolidine-2-carboxamide Traditional Name: (2S,4R)-1-(4-chlorobenzyl)-N,N-dimethyl-4-(2-pyridylthio)pyrrolidine-2-carboxamide Formula: C19H22ClN3OS MolecularWeight: 375.91548

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CC(CN1CC2=CC=C(C=C2)Cl)SC3=CC=CC=N3

Isomeric SMILES

CN(C)C(=O)[C@@H]1C[C@H](CN1CC2=CC=C(C=C2)Cl)SC3=CC=CC=N3

InChI

InChI=1S/C19H22ClN3OS/c1-22(2)19(24)17-11-16(25-18-5-3-4-10-21-18)13-23(17)12-14-6-8-15(20)9-7-14/h3-10,16-17H,11-13H2,1-2H3/t16-,17+/m1/s1