2-[[2-(2-methylphenyl)-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 4-methylsulfonyl-2-[[2-(o-tolyl)-4-(3-pyridyloxymethyl)benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-(3-pyridinyloxymethyl)phenyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-(pyridin-3-yloxymethyl)benzoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 4-mesyl-2-[[2-(o-tolyl)-4-(3-pyridyloxymethyl)benzoyl]amino]butyric acid Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COC3=CN=CC=C3)C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COC3=CN=CC=C3)C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C25H26N2O6S/c1-17-6-3-4-8-20(17)22-14-18(16-33-19-7-5-12-26-15-19)9-10-21(22)24(28)27-23(25(29)30)11-13-34(2,31)32/h3-10,12,14-15,23H,11,13,16H2,1-2H3,(H,27,28)(H,29,30)