N-[6-butoxy-5-cyano-2-(3-methylsulfanylphenyl)pyridin-3-yl]benzenesulfonamide

Systemtic Name: N-[6-butoxy-5-cyano-2-(3-methylsulfanylphenyl)pyridin-3-yl]benzenesulfonamide Openeye Name: N-[6-butoxy-5-cyano-2-(3-methylsulfanylphenyl)-3-pyridyl]benzenesulfonamide CAS Name: N-[6-butoxy-5-cyano-2-[3-(methylthio)phenyl]-3-pyridinyl]benzenesulfonamide IUPAC Name: N-[6-butoxy-5-cyano-2-(3-methylsulfanylphenyl)pyridin-3-yl]benzenesulfonamide Traditional Name: N-[6-butoxy-5-cyano-2-[3-(methylthio)phenyl]-3-pyridyl]benzenesulfonamide Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC(=C(C=C1C#N)NS(=O)(=O)C2=CC=CC=C2)C3=CC(=CC=C3)SC

Isomeric SMILES

CCCCOC1=NC(=C(C=C1C#N)NS(=O)(=O)C2=CC=CC=C2)C3=CC(=CC=C3)SC

InChI

InChI=1S/C23H23N3O3S2/c1-3-4-13-29-23-18(16-24)15-21(26-31(27,28)20-11-6-5-7-12-20)22(25-23)17-9-8-10-19(14-17)30-2/h5-12,14-15,26H,3-4,13H2,1-2H3