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

Systemtic Name: 4-[4-cyano-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazol-2-yl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-[4-cyano-5-(4-methylpiperazin-4-ium-1-yl)oxazol-2-yl]-N,N-dimethyl-benzenesulfonamide CAS Name: 4-[4-cyano-5-(4-methyl-1-piperazin-4-iumyl)-2-oxazolyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-[4-cyano-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide Traditional Name: 4-[4-cyano-5-(4-methylpiperazin-4-ium-1-yl)oxazol-2-yl]-N,N-dimethyl-benzenesulfonamide Formula: C17H22N5O3S+ MolecularWeight: 376.45328

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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)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O3S/c1-20(2)26(23,24)14-6-4-13(5-7-14)16-19-15(12-18)17(25-16)22-10-8-21(3)9-11-22/h4-7H,8-11H2,1-3H3/p+1