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4-[4-butoxy-3-(methylsulfonylamino)-5-phenyl-phenyl]butanoic acid

4-[4-butoxy-3-(methylsulfonylamino)-5-phenyl-phenyl]butanoic acid

Systemtic Name:4-[4-butoxy-3-(methylsulfonylamino)-5-phenyl-phenyl]butanoic acid
Openeye Name:4-[4-butoxy-3-(methanesulfonamido)-5-phenyl-phenyl]butanoic acid
CAS Name:4-[4-butoxy-3-(methanesulfonamido)-5-phenylphenyl]butanoic acid
IUPAC Name:4-[4-butoxy-3-(methanesulfonamido)-5-phenylphenyl]butanoic acid
Traditional Name:4-[4-butoxy-3-(methanesulfonamido)-5-phenyl-phenyl]butyric acid
Formula: C21H27NO5S
MolecularWeight: 405.50778
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1C2=CC=CC=C2)CCCC(=O)O)NS(=O)(=O)C


Isomeric SMILES

CCCCOC1=C(C=C(C=C1C2=CC=CC=C2)CCCC(=O)O)NS(=O)(=O)C


InChI

InChI=1S/C21H27NO5S/c1-3-4-13-27-21-18(17-10-6-5-7-11-17)14-16(9-8-12-20(23)24)15-19(21)22-28(2,25)26/h5-7,10-11,14-15,22H,3-4,8-9,12-13H2,1-2H3,(H,23,24)


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