4-methylsulfanyl-1-[2-(naphthalen-2-ylsulfonylamino)ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-methylsulfanyl-1-[2-(naphthalen-2-ylsulfonylamino)ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-methylsulfanyl-1-[2-(2-naphthylsulfonylamino)acetyl]pyrrolidine-2-carboxylic acid CAS Name: 4-(methylthio)-1-[2-(2-naphthalenylsulfonylamino)-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-methylsulfanyl-1-[2-(naphthalen-2-ylsulfonylamino)acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-(methylthio)-1-[2-(2-naphthylsulfonylamino)acetyl]proline Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CC(N(C1)C(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

CSC1CC(N(C1)C(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C18H20N2O5S2/c1-26-14-9-16(18(22)23)20(11-14)17(21)10-19-27(24,25)15-7-6-12-4-2-3-5-13(12)8-15/h2-8,14,16,19H,9-11H2,1H3,(H,22,23)