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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C2=NC(=C(O2)N3CC[NH+](CC3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C2=NC(=C(O2)N3CC[NH+](CC3)CC4=CC=CC=C4)C#N

InChI

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