3-[2-decoxy-5-[3-(methylsulfamoyl)phenyl]carbonyl-phenyl]propanoic acid

Systemtic Name: 3-[2-decoxy-5-[3-(methylsulfamoyl)phenyl]carbonyl-phenyl]propanoic acid Openeye Name: 3-[2-decoxy-5-[3-(methylsulfamoyl)benzoyl]phenyl]propanoic acid CAS Name: 3-[2-decoxy-5-[[3-(methylsulfamoyl)phenyl]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[2-decoxy-5-[3-(methylsulfamoyl)benzoyl]phenyl]propanoic acid Traditional Name: 3-[2-decoxy-5-[3-(methylsulfamoyl)benzoyl]phenyl]propionic acid Formula: C27H37NO6S MolecularWeight: 503.65078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC)CCC(=O)O

InChI

InChI=1S/C27H37NO6S/c1-3-4-5-6-7-8-9-10-18-34-25-16-14-23(19-21(25)15-17-26(29)30)27(31)22-12-11-13-24(20-22)35(32,33)28-2/h11-14,16,19-20,28H,3-10,15,17-18H2,1-2H3,(H,29,30)