(2S)-1-[(2S)-3-(4-chloranyl-3-sulfamoyl-phenyl)carbonylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-3-(4-chloranyl-3-sulfamoyl-phenyl)carbonylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-3-(4-chloro-3-sulfamoyl-benzoyl)sulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-3-[[(4-chloro-3-sulfamoylphenyl)-oxomethyl]thio]-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-3-(4-chloro-3-sulfamoylbenzoyl)sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-3-[(4-chloro-3-sulfamoyl-benzoyl)thio]-2-methyl-propanoyl]proline Formula: C16H19ClN2O6S2 MolecularWeight: 434.91486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O6S2/c1-9(14(20)19-6-2-3-12(19)15(21)22)8-26-16(23)10-4-5-11(17)13(7-10)27(18,24)25/h4-5,7,9,12H,2-3,6,8H2,1H3,(H,21,22)(H2,18,24,25)/t9-,12+/m1/s1