4-[4-[[3-(ethylcarbamoylamino)-4-fluoranyl-phenyl]methoxy]phenyl]sulfonyl-3-phenyl-butanoic acid

Systemtic Name: 4-[4-[[3-(ethylcarbamoylamino)-4-fluoranyl-phenyl]methoxy]phenyl]sulfonyl-3-phenyl-butanoic acid Openeye Name: 4-[4-[[3-(ethylcarbamoylamino)-4-fluoro-phenyl]methoxy]phenyl]sulfonyl-3-phenyl-butanoic acid CAS Name: 4-[4-[[3-(ethylcarbamoylamino)-4-fluorophenyl]methoxy]phenyl]sulfonyl-3-phenylbutanoic acid IUPAC Name: 4-[4-[[3-(ethylcarbamoylamino)-4-fluorophenyl]methoxy]phenyl]sulfonyl-3-phenylbutanoic acid Traditional Name: 4-[4-[3-(ethylcarbamoylamino)-4-fluoro-benzyl]oxyphenyl]sulfonyl-3-phenyl-butyric acid Formula: C26H27FN2O6S MolecularWeight: 514.565783

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=C(C=CC(=C1)COC2=CC=C(C=C2)S(=O)(=O)CC(CC(=O)O)C3=CC=CC=C3)F

Isomeric SMILES

CCNC(=O)NC1=C(C=CC(=C1)COC2=CC=C(C=C2)S(=O)(=O)CC(CC(=O)O)C3=CC=CC=C3)F

InChI

InChI=1S/C26H27FN2O6S/c1-2-28-26(32)29-24-14-18(8-13-23(24)27)16-35-21-9-11-22(12-10-21)36(33,34)17-20(15-25(30)31)19-6-4-3-5-7-19/h3-14,20H,2,15-17H2,1H3,(H,30,31)(H2,28,29,32)