N-[4-(cyanomethyl)phenyl]-4-methylsulfanyl-3-morpholin-4-ylcarbonyl-benzenesulfonamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-4-methylsulfanyl-3-morpholin-4-ylcarbonyl-benzenesulfonamide Openeye Name: N-[4-(cyanomethyl)phenyl]-4-methylsulfanyl-3-(morpholine-4-carbonyl)benzenesulfonamide CAS Name: N-[4-(cyanomethyl)phenyl]-4-(methylthio)-3-[4-morpholinyl(oxo)methyl]benzenesulfonamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-4-methylsulfanyl-3-(morpholine-4-carbonyl)benzenesulfonamide Traditional Name: N-[4-(cyanomethyl)phenyl]-4-(methylthio)-3-(morpholine-4-carbonyl)benzenesulfonamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CC#N)C(=O)N3CCOCC3

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CC#N)C(=O)N3CCOCC3

InChI

InChI=1S/C20H21N3O4S2/c1-28-19-7-6-17(14-18(19)20(24)23-10-12-27-13-11-23)29(25,26)22-16-4-2-15(3-5-16)8-9-21/h2-7,14,22H,8,10-13H2,1H3