2-(cyanomethylsulfanyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide Openeye Name: 2-(cyanomethylsulfanyl)-N-[(4-morpholinosulfonylphenyl)methyl]benzamide CAS Name: 2-(cyanomethylthio)-N-[[4-(4-morpholinylsulfonyl)phenyl]methyl]benzamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide Traditional Name: 2-(cyanomethylthio)-N-(4-morpholinosulfonylbenzyl)benzamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3=CC=CC=C3SCC#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3=CC=CC=C3SCC#N

InChI

InChI=1S/C20H21N3O4S2/c21-9-14-28-19-4-2-1-3-18(19)20(24)22-15-16-5-7-17(8-6-16)29(25,26)23-10-12-27-13-11-23/h1-8H,10-15H2,(H,22,24)