1-[4-[4-(4-nitrophenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]phenyl]sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[4-(4-nitrophenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]phenyl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(4-nitrophenyl)propyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid CAS Name: 1-[4-[1-hydroxy-4-(4-nitrophenyl)-1-oxobutan-2-yl]phenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[1-hydroxy-4-(4-nitrophenyl)-1-oxobutan-2-yl]phenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(4-nitrophenyl)propyl]phenyl]sulfonylproline Formula: C21H22N2O8S MolecularWeight: 462.47298

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)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

C1CC(N(C1)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/C21H22N2O8S/c24-20(25)18(12-5-14-3-8-16(9-4-14)23(28)29)15-6-10-17(11-7-15)32(30,31)22-13-1-2-19(22)21(26)27/h3-4,6-11,18-19H,1-2,5,12-13H2,(H,24,25)(H,26,27)