3-[4-[4-(4-nitrophenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]phenyl]sulfonyl-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-[4-[4-(4-nitrophenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]phenyl]sulfonyl-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[4-[1-carboxy-3-(4-nitrophenyl)propyl]phenyl]sulfonylthiazolidine-4-carboxylic acid CAS Name: 3-[4-[1-hydroxy-4-(4-nitrophenyl)-1-oxobutan-2-yl]phenyl]sulfonyl-4-thiazolidinecarboxylic acid IUPAC Name: 3-[4-[1-hydroxy-4-(4-nitrophenyl)-1-oxobutan-2-yl]phenyl]sulfonyl-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[4-[1-carboxy-3-(4-nitrophenyl)propyl]phenyl]sulfonylthiazolidine-4-carboxylic acid Formula: C20H20N2O8S2 MolecularWeight: 480.5114

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CS1)S(=O)(=O)C2=CC=C(C=C2)C(CCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

C1C(N(CS1)S(=O)(=O)C2=CC=C(C=C2)C(CCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C20H20N2O8S2/c23-19(24)17(10-3-13-1-6-15(7-2-13)22(27)28)14-4-8-16(9-5-14)32(29,30)21-12-31-11-18(21)20(25)26/h1-2,4-9,17-18H,3,10-12H2,(H,23,24)(H,25,26)