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

Systemtic Name: (2S)-1-[(2S)-3-(4-chloranyl-3-sulfamoyl-phenyl)sulfonylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-3-(4-chloro-3-sulfamoyl-phenyl)sulfonylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-3-[(4-chloro-3-sulfamoylphenyl)sulfonylthio]-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-3-(4-chloro-3-sulfamoylphenyl)sulfonylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-3-[(4-chloro-3-sulfamoyl-phenyl)sulfonylthio]-2-methyl-propanoyl]proline Formula: C15H19ClN2O7S3 MolecularWeight: 470.96856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN2O7S3/c1-9(14(19)18-6-2-3-12(18)15(20)21)8-26-28(24,25)10-4-5-11(16)13(7-10)27(17,22)23/h4-5,7,9,12H,2-3,6,8H2,1H3,(H,20,21)(H2,17,22,23)/t9-,12+/m1/s1