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

Systemtic Name: 1-[3-methyl-4-[4-(4-methylphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]phenyl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(p-tolyl)propyl]-3-methyl-phenyl]sulfonylpyrrolidine-2-carboxylic acid CAS Name: 1-[4-[1-hydroxy-4-(4-methylphenyl)-1-oxobutan-2-yl]-3-methylphenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[1-hydroxy-4-(4-methylphenyl)-1-oxobutan-2-yl]-3-methylphenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(p-tolyl)propyl]-3-methyl-phenyl]sulfonylproline Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)O)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CCC(C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)O)C)C(=O)O

InChI

InChI=1S/C23H27NO6S/c1-15-5-7-17(8-6-15)9-11-20(22(25)26)19-12-10-18(14-16(19)2)31(29,30)24-13-3-4-21(24)23(27)28/h5-8,10,12,14,20-21H,3-4,9,11,13H2,1-2H3,(H,25,26)(H,27,28)