2-(cyanomethylsulfanyl)-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)benzamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)benzamide Openeye Name: 2-(cyanomethylsulfanyl)-N-(4-methoxy-3-morpholinosulfonyl-phenyl)benzamide CAS Name: 2-(cyanomethylthio)-N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]benzamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide Traditional Name: 2-(cyanomethylthio)-N-(4-methoxy-3-morpholinosulfonyl-phenyl)benzamide Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC#N)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC#N)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H21N3O5S2/c1-27-17-7-6-15(14-19(17)30(25,26)23-9-11-28-12-10-23)22-20(24)16-4-2-3-5-18(16)29-13-8-21/h2-7,14H,9-13H2,1H3,(H,22,24)