5-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2-oxazole

Systemtic Name: 5-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2-oxazole Openeye Name: 3-phenyl-5-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 5-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-phenylisoxazole IUPAC Name: 5-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2-oxazole Traditional Name: 3-phenyl-5-[(4-tosylpiperazin-1-ium-1-yl)methyl]isoxazole Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S/c1-17-7-9-20(10-8-17)28(25,26)24-13-11-23(12-14-24)16-19-15-21(22-27-19)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3/p+1