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

Systemtic Name: 3-[4-butoxy-3-(methylsulfonylamino)-5-phenyl-phenyl]propanoic acid Openeye Name: 3-[4-butoxy-3-(methanesulfonamido)-5-phenyl-phenyl]propanoic acid CAS Name: 3-[4-butoxy-3-(methanesulfonamido)-5-phenylphenyl]propanoic acid IUPAC Name: 3-[4-butoxy-3-(methanesulfonamido)-5-phenylphenyl]propanoic acid Traditional Name: 3-[4-butoxy-3-(methanesulfonamido)-5-phenyl-phenyl]propionic acid Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO5S/c1-3-4-12-26-20-17(16-8-6-5-7-9-16)13-15(10-11-19(22)23)14-18(20)21-27(2,24)25/h5-9,13-14,21H,3-4,10-12H2,1-2H3,(H,22,23)