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

Systemtic Name: 1-[3-methyl-4-[4-(2-methyl-4-nitro-phenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]phenyl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(2-methyl-4-nitro-phenyl)propyl]-3-methyl-phenyl]sulfonylpyrrolidine-2-carboxylic acid CAS Name: 1-[4-[1-hydroxy-4-(2-methyl-4-nitrophenyl)-1-oxobutan-2-yl]-3-methylphenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[1-hydroxy-4-(2-methyl-4-nitrophenyl)-1-oxobutan-2-yl]-3-methylphenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(2-methyl-4-nitro-phenyl)propyl]-3-methyl-phenyl]sulfonylproline Formula: C23H26N2O8S MolecularWeight: 490.52614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])CCC(C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)O)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])CCC(C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)O)C)C(=O)O

InChI

InChI=1S/C23H26N2O8S/c1-14-12-17(25(30)31)7-5-16(14)6-9-20(22(26)27)19-10-8-18(13-15(19)2)34(32,33)24-11-3-4-21(24)23(28)29/h5,7-8,10,12-13,20-21H,3-4,6,9,11H2,1-2H3,(H,26,27)(H,28,29)