1-[3,5-bis(chloranyl)phenyl]sulfonyl-2-(4-tert-butyl-2-carboxy-phenyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3,5-bis(chloranyl)phenyl]sulfonyl-2-(4-tert-butyl-2-carboxy-phenyl)pyrrolidine-2-carboxylic acid Openeye Name: 2-(4-tert-butyl-2-carboxy-phenyl)-1-(3,5-dichlorophenyl)sulfonyl-pyrrolidine-2-carboxylic acid CAS Name: 2-(4-tert-butyl-2-carboxyphenyl)-1-(3,5-dichlorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(4-tert-butyl-2-carboxyphenyl)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 2-(4-tert-butyl-2-carboxy-phenyl)-1-(3,5-dichlorophenyl)sulfonyl-proline Formula: C22H23Cl2NO6S MolecularWeight: 500.39212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)C2(CCCN2S(=O)(=O)C3=CC(=CC(=C3)Cl)Cl)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)C2(CCCN2S(=O)(=O)C3=CC(=CC(=C3)Cl)Cl)C(=O)O)C(=O)O

InChI

InChI=1S/C22H23Cl2NO6S/c1-21(2,3)13-5-6-18(17(9-13)19(26)27)22(20(28)29)7-4-8-25(22)32(30,31)16-11-14(23)10-15(24)12-16/h5-6,9-12H,4,7-8H2,1-3H3,(H,26,27)(H,28,29)