2-(cyanomethylsulfanyl)-N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]benzamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]benzamide Openeye Name: 2-(cyanomethylsulfanyl)-N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]benzamide CAS Name: 2-(cyanomethylthio)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]benzamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]benzamide Traditional Name: 2-(cyanomethylthio)-N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]benzamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2SCC#N)OCC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2SCC#N)OCC

InChI

InChI=1S/C21H25N3O4S2/c1-4-24(5-2)30(26,27)20-15-16(11-12-18(20)28-6-3)23-21(25)17-9-7-8-10-19(17)29-14-13-22/h7-12,15H,4-6,14H2,1-3H3,(H,23,25)