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3-[3-[(4-butylphenyl)methyl-methylsulfonyl-amino]phenyl]propanoic acid
3-[3-[(4-butylphenyl)methyl-methylsulfonyl-amino]phenyl]propanoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CCCCC1=CC=C(C=C1)CN(C2=CC=CC(=C2)CCC(=O)O)S(=O)(=O)C
Isomeric SMILES
CCCCC1=CC=C(C=C1)CN(C2=CC=CC(=C2)CCC(=O)O)S(=O)(=O)C
InChI
InChI=1S/C21H27NO4S/c1-3-4-6-17-9-11-19(12-10-17)16-22(27(2,25)26)20-8-5-7-18(15-20)13-14-21(23)24/h5,7-12,15H,3-4,6,13-14,16H2,1-2H3,(H,23,24)
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