N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(4-methoxyphenyl)sulfonyl-2-(2-thienyl)ethyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-(4-methoxyphenyl)sulfonyl-2-(2-thienyl)ethyl]-2-(methylthio)nicotinamide Formula: C20H20N2O4S3 MolecularWeight: 448.5788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=C(N=CC=C2)SC)C3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=C(N=CC=C2)SC)C3=CC=CS3

InChI

InChI=1S/C20H20N2O4S3/c1-26-14-7-9-15(10-8-14)29(24,25)18(17-6-4-12-28-17)13-22-19(23)16-5-3-11-21-20(16)27-2/h3-12,18H,13H2,1-2H3,(H,22,23)