2-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazin-1-ium-1-yl]-N-[3-(diethylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazin-1-ium-1-yl]-N-[3-(diethylsulfamoyl)phenyl]ethanamide Openeye Name: 2-[4-(4-cyano-2-cyclopropyl-oxazol-5-yl)piperazin-1-ium-1-yl]-N-[3-(diethylsulfamoyl)phenyl]acetamide CAS Name: 2-[4-(4-cyano-2-cyclopropyl-5-oxazolyl)-1-piperazin-1-iumyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide IUPAC Name: 2-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazin-1-ium-1-yl]-N-[3-(diethylsulfamoyl)phenyl]acetamide Traditional Name: 2-[4-(4-cyano-2-cyclopropyl-oxazol-5-yl)piperazin-1-ium-1-yl]-N-[3-(diethylsulfamoyl)phenyl]acetamide Formula: C23H31N6O4S+ MolecularWeight: 487.59504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C3=C(N=C(O3)C4CC4)C#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C3=C(N=C(O3)C4CC4)C#N

InChI

InChI=1S/C23H30N6O4S/c1-3-29(4-2)34(31,32)19-7-5-6-18(14-19)25-21(30)16-27-10-12-28(13-11-27)23-20(15-24)26-22(33-23)17-8-9-17/h5-7,14,17H,3-4,8-13,16H2,1-2H3,(H,25,30)/p+1