N-[4-[[5-(hydroxymethyl)-2-oxidanyl-phenyl]carbonylamino]cyclohexyl]-5-methyl-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide

Systemtic Name: N-[4-[[5-(hydroxymethyl)-2-oxidanyl-phenyl]carbonylamino]cyclohexyl]-5-methyl-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide Openeye Name: N-[4-[[2-hydroxy-5-(hydroxymethyl)benzoyl]amino]cyclohexyl]-5-methyl-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide CAS Name: N-[4-[[[2-hydroxy-5-(hydroxymethyl)phenyl]-oxomethyl]amino]cyclohexyl]-5-methyl-2-[3-(methylthio)phenoxy]-3-pyridinecarboxamide IUPAC Name: N-[4-[[2-hydroxy-5-(hydroxymethyl)benzoyl]amino]cyclohexyl]-5-methyl-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide Traditional Name: N-[4-[(2-hydroxy-5-methylol-benzoyl)amino]cyclohexyl]-5-methyl-2-[3-(methylthio)phenoxy]nicotinamide Formula: C28H31N3O5S MolecularWeight: 521.62784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1)C(=O)NC2CCC(CC2)NC(=O)C3=C(C=CC(=C3)CO)O)OC4=CC(=CC=C4)SC

Isomeric SMILES

CC1=CN=C(C(=C1)C(=O)NC2CCC(CC2)NC(=O)C3=C(C=CC(=C3)CO)O)OC4=CC(=CC=C4)SC

InChI

InChI=1S/C28H31N3O5S/c1-17-12-24(28(29-15-17)36-21-4-3-5-22(14-21)37-2)27(35)31-20-9-7-19(8-10-20)30-26(34)23-13-18(16-32)6-11-25(23)33/h3-6,11-15,19-20,32-33H,7-10,16H2,1-2H3,(H,30,34)(H,31,35)