3-cyano-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 3-cyano-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 3-cyano-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]benzamide CAS Name: 3-cyano-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide IUPAC Name: 3-cyano-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide Traditional Name: 3-cyano-N-[2-(2-thienyl)-2-tosyl-ethyl]benzamide Formula: C21H18N2O3S2 MolecularWeight: 410.50922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC=CC(=C2)C#N)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC=CC(=C2)C#N)C3=CC=CS3

InChI

InChI=1S/C21H18N2O3S2/c1-15-7-9-18(10-8-15)28(25,26)20(19-6-3-11-27-19)14-23-21(24)17-5-2-4-16(12-17)13-22/h2-12,20H,14H2,1H3,(H,23,24)