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

Systemtic Name: 2-(cyanomethylsulfanyl)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide Openeye Name: 2-(cyanomethylsulfanyl)-N-[[2-(morpholinosulfonylmethyl)phenyl]methyl]benzamide CAS Name: 2-(cyanomethylthio)-N-[[2-(4-morpholinylsulfonylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide Traditional Name: 2-(cyanomethylthio)-N-[2-(morpholinosulfonylmethyl)benzyl]benzamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)CC2=CC=CC=C2CNC(=O)C3=CC=CC=C3SCC#N

Isomeric SMILES

C1COCCN1S(=O)(=O)CC2=CC=CC=C2CNC(=O)C3=CC=CC=C3SCC#N

InChI

InChI=1S/C21H23N3O4S2/c22-9-14-29-20-8-4-3-7-19(20)21(25)23-15-17-5-1-2-6-18(17)16-30(26,27)24-10-12-28-13-11-24/h1-8H,10-16H2,(H,23,25)