1-[(4-sulfamoylphenyl)methylcarbamothioyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-sulfamoylphenyl)methylcarbamothioyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-sulfamoylphenyl)methylcarbamothioyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-sulfamoylphenyl)methylcarbamothioyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-sulfamoylbenzyl)thiocarbamoyl]proline Formula: C13H17N3O4S2 MolecularWeight: 343.42178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C13H17N3O4S2/c14-22(19,20)10-5-3-9(4-6-10)8-15-13(21)16-7-1-2-11(16)12(17)18/h3-6,11H,1-2,7-8H2,(H,15,21)(H,17,18)(H2,14,19,20)