N-[2-(cyanomethylsulfanyl)phenyl]-2-[[5-(cyclopropylsulfamoyl)-2-methoxy-phenyl]amino]ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[[5-(cyclopropylsulfamoyl)-2-methoxy-phenyl]amino]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[5-(cyclopropylsulfamoyl)-2-methoxy-anilino]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[5-(cyclopropylsulfamoyl)-2-methoxy-anilino]acetamide Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)NCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)NCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C20H22N4O4S2/c1-28-18-9-8-15(30(26,27)24-14-6-7-14)12-17(18)22-13-20(25)23-16-4-2-3-5-19(16)29-11-10-21/h2-5,8-9,12,14,22,24H,6-7,11,13H2,1H3,(H,23,25)