1-(4-tert-butylphenyl)sulfonyl-4-ethanoylsulfanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-4-ethanoylsulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-acetylsulfanyl-1-(4-tert-butylphenyl)sulfonyl-pyrrolidine-2-carboxylic acid CAS Name: 4-(acetylthio)-1-(4-tert-butylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-acetylsulfanyl-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 4-(acetylthio)-1-(4-tert-butylphenyl)sulfonyl-proline Formula: C17H23NO5S2 MolecularWeight: 385.49822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)O

Isomeric SMILES

CC(=O)SC1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)O

InChI

InChI=1S/C17H23NO5S2/c1-11(19)24-13-9-15(16(20)21)18(10-13)25(22,23)14-7-5-12(6-8-14)17(2,3)4/h5-8,13,15H,9-10H2,1-4H3,(H,20,21)