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

Systemtic Name: 4-[4-cyano-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazol-2-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[4-cyano-5-(4-methylpiperazin-4-ium-1-yl)oxazol-2-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[4-cyano-5-(4-methyl-1-piperazin-4-iumyl)-2-oxazolyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[4-cyano-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazol-2-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[4-cyano-5-(4-methylpiperazin-4-ium-1-yl)oxazol-2-yl]-N,N-diethyl-benzenesulfonamide Formula: C19H26N5O3S+ MolecularWeight: 404.50644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O3S/c1-4-24(5-2)28(25,26)16-8-6-15(7-9-16)18-21-17(14-20)19(27-18)23-12-10-22(3)11-13-23/h6-9H,4-5,10-13H2,1-3H3/p+1