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

Systemtic Name: 4-[4-cyano-5-(4-ethylpiperazin-4-ium-1-yl)-1,3-oxazol-2-yl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-[4-cyano-5-(4-ethylpiperazin-4-ium-1-yl)oxazol-2-yl]-N,N-dimethyl-benzenesulfonamide CAS Name: 4-[4-cyano-5-(4-ethyl-1-piperazin-4-iumyl)-2-oxazolyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-[4-cyano-5-(4-ethylpiperazin-4-ium-1-yl)-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide Traditional Name: 4-[4-cyano-5-(4-ethylpiperazin-4-ium-1-yl)oxazol-2-yl]-N,N-dimethyl-benzenesulfonamide Formula: C18H24N5O3S+ MolecularWeight: 390.47986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O3S/c1-4-22-9-11-23(12-10-22)18-16(13-19)20-17(26-18)14-5-7-15(8-6-14)27(24,25)21(2)3/h5-8H,4,9-12H2,1-3H3/p+1