[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(diethylsulfamoyl)-2-pyrrolidino-benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] 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(C)N)C#N

Isomeric SMILES

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

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/h8-9,12H,4-7,10-11,14,23H2,1-3H3/b18-15+