2-[(4-cyanophenyl)methylsulfanyl]-N-[[3-(methylsulfonylamino)phenyl]methyl]ethanamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[[3-(methylsulfonylamino)phenyl]methyl]ethanamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[[3-(methanesulfonamido)phenyl]methyl]acetamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-[[3-(methanesulfonamido)phenyl]methyl]acetamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[[3-(methanesulfonamido)phenyl]methyl]acetamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-[3-(methanesulfonamido)benzyl]acetamide Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)CNC(=O)CSCC2=CC=C(C=C2)C#N

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)CNC(=O)CSCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H19N3O3S2/c1-26(23,24)21-17-4-2-3-16(9-17)11-20-18(22)13-25-12-15-7-5-14(10-19)6-8-15/h2-9,21H,11-13H2,1H3,(H,20,22)