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

Systemtic Name: 1-[4-[4-(2-methoxyphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]-3-methyl-phenyl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(2-methoxyphenyl)propyl]-3-methyl-phenyl]sulfonylpyrrolidine-2-carboxylic acid CAS Name: 1-[4-[1-hydroxy-4-(2-methoxyphenyl)-1-oxobutan-2-yl]-3-methylphenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[1-hydroxy-4-(2-methoxyphenyl)-1-oxobutan-2-yl]-3-methylphenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(2-methoxyphenyl)propyl]-3-methyl-phenyl]sulfonylproline Formula: C23H27NO7S MolecularWeight: 461.52798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2C(=O)O)C(CCC3=CC=CC=C3OC)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2C(=O)O)C(CCC3=CC=CC=C3OC)C(=O)O

InChI

InChI=1S/C23H27NO7S/c1-15-14-17(32(29,30)24-13-5-7-20(24)23(27)28)10-12-18(15)19(22(25)26)11-9-16-6-3-4-8-21(16)31-2/h3-4,6,8,10,12,14,19-20H,5,7,9,11,13H2,1-2H3,(H,25,26)(H,27,28)