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

Systemtic Name: 4-[6-butoxy-5-cyano-2-(4-methylthiophen-2-yl)pyridin-3-yl]benzenesulfonamide Openeye Name: 4-[6-butoxy-5-cyano-2-(4-methyl-2-thienyl)-3-pyridyl]benzenesulfonamide CAS Name: 4-[6-butoxy-5-cyano-2-(4-methyl-2-thiophenyl)-3-pyridinyl]benzenesulfonamide IUPAC Name: 4-[6-butoxy-5-cyano-2-(4-methylthiophen-2-yl)pyridin-3-yl]benzenesulfonamide Traditional Name: 4-[6-butoxy-5-cyano-2-(4-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=CC(=CS3)C

Isomeric SMILES

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

InChI

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