(2S)-1-[(2S)-3-(2-methoxy-5-sulfamoyl-phenyl)carbonylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-3-(2-methoxy-5-sulfamoyl-phenyl)carbonylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-3-(2-methoxy-5-sulfamoyl-benzoyl)sulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-3-[[(2-methoxy-5-sulfamoylphenyl)-oxomethyl]thio]-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-3-(2-methoxy-5-sulfamoylbenzoyl)sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-3-[(2-methoxy-5-sulfamoyl-benzoyl)thio]-2-methyl-propanoyl]proline Formula: C17H22N2O7S2 MolecularWeight: 430.49578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)OC)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

C[C@H](CSC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)OC)C(=O)N2CCC[C@H]2C(=O)O

InChI

InChI=1S/C17H22N2O7S2/c1-10(15(20)19-7-3-4-13(19)16(21)22)9-27-17(23)12-8-11(28(18,24)25)5-6-14(12)26-2/h5-6,8,10,13H,3-4,7,9H2,1-2H3,(H,21,22)(H2,18,24,25)/t10-,13+/m1/s1