4-[4-[[4-chloranyl-3-(methylcarbamoylamino)phenyl]methoxy]phenyl]sulfonyl-3-phenyl-butanoic acid

Systemtic Name: 4-[4-[[4-chloranyl-3-(methylcarbamoylamino)phenyl]methoxy]phenyl]sulfonyl-3-phenyl-butanoic acid Openeye Name: 4-[4-[[4-chloro-3-(methylcarbamoylamino)phenyl]methoxy]phenyl]sulfonyl-3-phenyl-butanoic acid CAS Name: 4-[4-[[4-chloro-3-(methylcarbamoylamino)phenyl]methoxy]phenyl]sulfonyl-3-phenylbutanoic acid IUPAC Name: 4-[4-[[4-chloro-3-(methylcarbamoylamino)phenyl]methoxy]phenyl]sulfonyl-3-phenylbutanoic acid Traditional Name: 4-[4-[4-chloro-3-(methylcarbamoylamino)benzyl]oxyphenyl]sulfonyl-3-phenyl-butyric acid Formula: C25H25ClN2O6S MolecularWeight: 516.9938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=C(C=CC(=C1)COC2=CC=C(C=C2)S(=O)(=O)CC(CC(=O)O)C3=CC=CC=C3)Cl

Isomeric SMILES

CNC(=O)NC1=C(C=CC(=C1)COC2=CC=C(C=C2)S(=O)(=O)CC(CC(=O)O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C25H25ClN2O6S/c1-27-25(31)28-23-13-17(7-12-22(23)26)15-34-20-8-10-21(11-9-20)35(32,33)16-19(14-24(29)30)18-5-3-2-4-6-18/h2-13,19H,14-16H2,1H3,(H,29,30)(H2,27,28,31)