4-[6-butoxy-5-cyano-2-(3-methylthiophen-2-yl)pyridin-3-yl]benzenesulfonamide

Systemtic Name: 4-[6-butoxy-5-cyano-2-(3-methylthiophen-2-yl)pyridin-3-yl]benzenesulfonamide Openeye Name: 4-[6-butoxy-5-cyano-2-(3-methyl-2-thienyl)-3-pyridyl]benzenesulfonamide CAS Name: 4-[6-butoxy-5-cyano-2-(3-methyl-2-thiophenyl)-3-pyridinyl]benzenesulfonamide IUPAC Name: 4-[6-butoxy-5-cyano-2-(3-methylthiophen-2-yl)pyridin-3-yl]benzenesulfonamide Traditional Name: 4-[6-butoxy-5-cyano-2-(3-methyl-2-thienyl)-3-pyridyl]benzenesulfonamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC(=C(C=C1C#N)C2=CC=C(C=C2)S(=O)(=O)N)C3=C(C=CS3)C

Isomeric SMILES

CCCCOC1=NC(=C(C=C1C#N)C2=CC=C(C=C2)S(=O)(=O)N)C3=C(C=CS3)C

InChI

InChI=1S/C21H21N3O3S2/c1-3-4-10-27-21-16(13-22)12-18(19(24-21)20-14(2)9-11-28-20)15-5-7-17(8-6-15)29(23,25)26/h5-9,11-12H,3-4,10H2,1-2H3,(H2,23,25,26)