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

Systemtic Name: 4-[4-cyano-5-(4-ethylpiperazin-4-ium-1-yl)-1,3-oxazol-2-yl]-N-methyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-4-[4-cyano-5-(4-ethylpiperazin-4-ium-1-yl)oxazol-2-yl]-N-methyl-benzenesulfonamide CAS Name: 4-[4-cyano-5-(4-ethyl-1-piperazin-4-iumyl)-2-oxazolyl]-N-methyl-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-4-[4-cyano-5-(4-ethylpiperazin-4-ium-1-yl)-1,3-oxazol-2-yl]-N-methylbenzenesulfonamide Traditional Name: N-benzyl-4-[4-cyano-5-(4-ethylpiperazin-4-ium-1-yl)oxazol-2-yl]-N-methyl-benzenesulfonamide Formula: C24H28N5O3S+ MolecularWeight: 466.57582

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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)CC4=CC=CC=C4)C#N

Isomeric SMILES

CC[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/C24H27N5O3S/c1-3-28-13-15-29(16-14-28)24-22(17-25)26-23(32-24)20-9-11-21(12-10-20)33(30,31)27(2)18-19-7-5-4-6-8-19/h4-12H,3,13-16,18H2,1-2H3/p+1