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3-[3-[(4-butylphenyl)methyl-methylsulfonyl-amino]propoxy]benzoic acid
3-[3-[(4-butylphenyl)methyl-methylsulfonyl-amino]propoxy]benzoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CCCCC1=CC=C(C=C1)CN(CCCOC2=CC=CC(=C2)C(=O)O)S(=O)(=O)C
Isomeric SMILES
CCCCC1=CC=C(C=C1)CN(CCCOC2=CC=CC(=C2)C(=O)O)S(=O)(=O)C
InChI
InChI=1S/C22H29NO5S/c1-3-4-7-18-10-12-19(13-11-18)17-23(29(2,26)27)14-6-15-28-21-9-5-8-20(16-21)22(24)25/h5,8-13,16H,3-4,6-7,14-15,17H2,1-2H3,(H,24,25)
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