(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(diethylsulfamoyl)-2-pyrrolidino-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C21H28N4O5S MolecularWeight: 448.53582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC(=O)C(C#N)C(=N)C

InChI

InChI=1S/C21H28N4O5S/c1-4-25(5-2)31(28,29)16-8-9-19(24-10-6-7-11-24)17(12-16)21(27)30-14-20(26)18(13-22)15(3)23/h8-9,12,18,23H,4-7,10-11,14H2,1-3H3