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

Systemtic Name: N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[3-(p-tolyl)isoxazol-5-yl]acetamide CAS Name: N-[3-(4-methylphenyl)-5-isoxazolyl]-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[3-(p-tolyl)isoxazol-5-yl]acetamide Formula: C23H27N4O4S+ MolecularWeight: 455.54988

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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)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O4S/c1-18-7-9-20(10-8-18)21-15-23(31-25-21)24-22(28)16-26-11-13-27(14-12-26)32(29,30)17-19-5-3-2-4-6-19/h2-10,15H,11-14,16-17H2,1H3,(H,24,28)/p+1