2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]ethanamide

Systemtic Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]ethanamide Openeye Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(p-tolyl)isoxazol-5-yl]acetamide CAS Name: 2-[4-(2-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[3-(4-methylphenyl)-5-isoxazolyl]acetamide IUPAC Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide Traditional Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(p-tolyl)isoxazol-5-yl]acetamide Formula: C23H24N5O4S+ MolecularWeight: 466.53276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H23N5O4S/c1-17-6-8-18(9-7-17)20-14-23(32-26-20)25-22(29)16-27-10-12-28(13-11-27)33(30,31)21-5-3-2-4-19(21)15-24/h2-9,14H,10-13,16H2,1H3,(H,25,29)/p+1