2-[4-[4-(2-cyanoethylsulfamoyl)phenyl]carbonyl-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[4-(2-cyanoethylsulfamoyl)phenyl]carbonyl-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[4-(2-cyanoethylsulfamoyl)benzoyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[[4-(2-cyanoethylsulfamoyl)phenyl]-oxomethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[4-(2-cyanoethylsulfamoyl)benzoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[4-(2-cyanoethylsulfamoyl)benzoyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide Formula: C19H27N5O4S MolecularWeight: 421.51378

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1CCCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

Isomeric SMILES

CN(C)C(=O)CN1CCCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

InChI

InChI=1S/C19H27N5O4S/c1-22(2)18(25)15-23-11-4-12-24(14-13-23)19(26)16-5-7-17(8-6-16)29(27,28)21-10-3-9-20/h5-8,21H,3-4,10-15H2,1-2H3