N-[4-[(2,2-dimethyl-3-oxidanyl-propanoyl)amino]cyclohexyl]-2-(3-ethylsulfanylphenoxy)-5-fluoranyl-pyridine-3-carboxamide

Systemtic Name: N-[4-[(2,2-dimethyl-3-oxidanyl-propanoyl)amino]cyclohexyl]-2-(3-ethylsulfanylphenoxy)-5-fluoranyl-pyridine-3-carboxamide Openeye Name: 2-(3-ethylsulfanylphenoxy)-5-fluoro-N-[4-[(3-hydroxy-2,2-dimethyl-propanoyl)amino]cyclohexyl]pyridine-3-carboxamide CAS Name: 2-[3-(ethylthio)phenoxy]-5-fluoro-N-[4-[(3-hydroxy-2,2-dimethyl-1-oxopropyl)amino]cyclohexyl]-3-pyridinecarboxamide IUPAC Name: 2-(3-ethylsulfanylphenoxy)-5-fluoro-N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]pyridine-3-carboxamide Traditional Name: 2-[3-(ethylthio)phenoxy]-5-fluoro-N-[4-[(3-hydroxy-2,2-dimethyl-propanoyl)amino]cyclohexyl]nicotinamide Formula: C25H32FN3O4S MolecularWeight: 489.602683

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC(=C1)OC2=NC=C(C=C2C(=O)NC3CCC(CC3)NC(=O)C(C)(C)CO)F

Isomeric SMILES

CCSC1=CC=CC(=C1)OC2=NC=C(C=C2C(=O)NC3CCC(CC3)NC(=O)C(C)(C)CO)F

InChI

InChI=1S/C25H32FN3O4S/c1-4-34-20-7-5-6-19(13-20)33-23-21(12-16(26)14-27-23)22(31)28-17-8-10-18(11-9-17)29-24(32)25(2,3)15-30/h5-7,12-14,17-18,30H,4,8-11,15H2,1-3H3,(H,28,31)(H,29,32)