1-[4-methylsulfanyl-2-(phenylsulfonylamino)butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-methylsulfanyl-2-(phenylsulfonylamino)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(benzenesulfonamido)-4-methylsulfanyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(benzenesulfonamido)-4-(methylthio)-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(benzenesulfonamido)-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(benzenesulfonamido)-4-(methylthio)butanoyl]proline Formula: C16H22N2O5S2 MolecularWeight: 386.48628

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCC1C(=O)O)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)N1CCCC1C(=O)O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H22N2O5S2/c1-24-11-9-13(15(19)18-10-5-8-14(18)16(20)21)17-25(22,23)12-6-3-2-4-7-12/h2-4,6-7,13-14,17H,5,8-11H2,1H3,(H,20,21)