4-[4-cyano-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazol-2-yl]-N-methyl-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 4-[4-cyano-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazol-2-yl]-N-methyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-4-[4-cyano-5-(4-methylpiperazin-4-ium-1-yl)oxazol-2-yl]-N-methyl-benzenesulfonamide CAS Name: 4-[4-cyano-5-(4-methyl-1-piperazin-4-iumyl)-2-oxazolyl]-N-methyl-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-4-[4-cyano-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazol-2-yl]-N-methylbenzenesulfonamide Traditional Name: N-benzyl-4-[4-cyano-5-(4-methylpiperazin-4-ium-1-yl)oxazol-2-yl]-N-methyl-benzenesulfonamide Formula: C23H26N5O3S+ MolecularWeight: 452.54924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N(C)CC4=CC=CC=C4)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N(C)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C23H25N5O3S/c1-26-12-14-28(15-13-26)23-21(16-24)25-22(31-23)19-8-10-20(11-9-19)32(29,30)27(2)17-18-6-4-3-5-7-18/h3-11H,12-15,17H2,1-2H3/p+1