(2S,4S)-N-methyl-N-(methylsulfanylmethyl)-4-[[(4-methylsulfonylphenyl)carbonylamino]methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S,4S)-N-methyl-N-(methylsulfanylmethyl)-4-[[(4-methylsulfonylphenyl)carbonylamino]methyl]pyrrolidine-2-carboxamide Openeye Name: (2S,4S)-N-methyl-N-(methylsulfanylmethyl)-4-[[(4-methylsulfonylbenzoyl)amino]methyl]pyrrolidine-2-carboxamide CAS Name: (2S,4S)-N-methyl-4-[[[(4-methylsulfonylphenyl)-oxomethyl]amino]methyl]-N-[(methylthio)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S,4S)-N-methyl-N-(methylsulfanylmethyl)-4-[[(4-methylsulfonylbenzoyl)amino]methyl]pyrrolidine-2-carboxamide Traditional Name: (2S,4S)-4-[[(4-mesylbenzoyl)amino]methyl]-N-methyl-N-[(methylthio)methyl]pyrrolidine-2-carboxamide Formula: C17H25N3O4S2 MolecularWeight: 399.5281

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Descriptors Computed from Structure

Canonical SMILES:

CN(CSC)C(=O)C1CC(CN1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CN(CSC)C(=O)[C@@H]1C[C@@H](CN1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C17H25N3O4S2/c1-20(11-25-2)17(22)15-8-12(9-18-15)10-19-16(21)13-4-6-14(7-5-13)26(3,23)24/h4-7,12,15,18H,8-11H2,1-3H3,(H,19,21)/t12-,15-/m0/s1