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

Systemtic Name: 4-[4-[[3-(ethylcarbamoylamino)phenyl]methoxy]phenyl]sulfonyl-3-pyridin-3-yl-butanoic acid Openeye Name: 4-[4-[[3-(ethylcarbamoylamino)phenyl]methoxy]phenyl]sulfonyl-3-(3-pyridyl)butanoic acid CAS Name: 4-[4-[[3-(ethylcarbamoylamino)phenyl]methoxy]phenyl]sulfonyl-3-(3-pyridinyl)butanoic acid IUPAC Name: 4-[4-[[3-(ethylcarbamoylamino)phenyl]methoxy]phenyl]sulfonyl-3-pyridin-3-ylbutanoic acid Traditional Name: 4-[4-[3-(ethylcarbamoylamino)benzyl]oxyphenyl]sulfonyl-3-(3-pyridyl)butyric acid Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O6S/c1-2-27-25(31)28-21-7-3-5-18(13-21)16-34-22-8-10-23(11-9-22)35(32,33)17-20(14-24(29)30)19-6-4-12-26-15-19/h3-13,15,20H,2,14,16-17H2,1H3,(H,29,30)(H2,27,28,31)