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4-[2-[(4-butylphenyl)methyl-methylsulfonyl-amino]phenyl]butanoic acid
4-[2-[(4-butylphenyl)methyl-methylsulfonyl-amino]phenyl]butanoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CCCCC1=CC=C(C=C1)CN(C2=CC=CC=C2CCCC(=O)O)S(=O)(=O)C
Isomeric SMILES
CCCCC1=CC=C(C=C1)CN(C2=CC=CC=C2CCCC(=O)O)S(=O)(=O)C
InChI
InChI=1S/C22H29NO4S/c1-3-4-8-18-13-15-19(16-14-18)17-23(28(2,26)27)21-11-6-5-9-20(21)10-7-12-22(24)25/h5-6,9,11,13-16H,3-4,7-8,10,12,17H2,1-2H3,(H,24,25)
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