(2-oxidanylideneazepan-3-yl) 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: (2-oxoazepan-3-yl) 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (2-ketoazepan-3-yl) ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

Isomeric SMILES

C1CCNC(=O)C(C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

InChI

InChI=1S/C16H19N3O5S/c17-9-3-11-19-25(22,23)13-7-5-12(6-8-13)16(21)24-14-4-1-2-10-18-15(14)20/h5-8,14,19H,1-4,10-11H2,(H,18,20)