N-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonyl-phenyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonyl-phenyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(3-methylphenoxy)-5-(1-piperidylsulfonyl)phenyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(3-methylphenoxy)-5-(1-piperidinylsulfonyl)phenyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonylphenyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-(3-methylphenoxy)-5-piperidinosulfonyl-phenyl]-2-(methylthio)nicotinamide Formula: C25H27N3O4S2 MolecularWeight: 497.62958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=C(N=CC=C4)SC

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=C(N=CC=C4)SC

InChI

InChI=1S/C25H27N3O4S2/c1-18-8-6-9-19(16-18)32-23-12-11-20(34(30,31)28-14-4-3-5-15-28)17-22(23)27-24(29)21-10-7-13-26-25(21)33-2/h6-13,16-17H,3-5,14-15H2,1-2H3,(H,27,29)