2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide Formula: C23H21N3O3S2 MolecularWeight: 451.56114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H21N3O3S2/c24-15-18-5-7-19(8-6-18)16-30-22-4-2-1-3-21(22)23(27)26-14-13-17-9-11-20(12-10-17)31(25,28)29/h1-12H,13-14,16H2,(H,26,27)(H2,25,28,29)