1-[4-[4-(2-methoxy-4-nitro-phenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]-3-methyl-phenyl]sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[4-(2-methoxy-4-nitro-phenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]-3-methyl-phenyl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(2-methoxy-4-nitro-phenyl)propyl]-3-methyl-phenyl]sulfonylpyrrolidine-2-carboxylic acid CAS Name: 1-[4-[1-hydroxy-4-(2-methoxy-4-nitrophenyl)-1-oxobutan-2-yl]-3-methylphenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[1-hydroxy-4-(2-methoxy-4-nitrophenyl)-1-oxobutan-2-yl]-3-methylphenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(2-methoxy-4-nitro-phenyl)propyl]-3-methyl-phenyl]sulfonylproline Formula: C23H26N2O9S MolecularWeight: 506.52554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2C(=O)O)C(CCC3=C(C=C(C=C3)[N+](=O)[O-])OC)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2C(=O)O)C(CCC3=C(C=C(C=C3)[N+](=O)[O-])OC)C(=O)O

InChI

InChI=1S/C23H26N2O9S/c1-14-12-17(35(32,33)24-11-3-4-20(24)23(28)29)8-10-18(14)19(22(26)27)9-6-15-5-7-16(25(30)31)13-21(15)34-2/h5,7-8,10,12-13,19-20H,3-4,6,9,11H2,1-2H3,(H,26,27)(H,28,29)