N-(3-methylsulfanylphenyl)-1-methylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-1-methylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-1-methylsulfonyl-pyrrolidine-2-carboxamide CAS Name: 1-methylsulfonyl-N-[3-(methylthio)phenyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide Traditional Name: 1-mesyl-N-[3-(methylthio)phenyl]pyrrolidine-2-carboxamide Formula: C13H18N2O3S2 MolecularWeight: 314.42362

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCCN2S(=O)(=O)C

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCCN2S(=O)(=O)C

InChI

InChI=1S/C13H18N2O3S2/c1-19-11-6-3-5-10(9-11)14-13(16)12-7-4-8-15(12)20(2,17)18/h3,5-6,9,12H,4,7-8H2,1-2H3,(H,14,16)