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

Systemtic Name: 5-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(2-methoxyphenyl)-1,2-oxazole Openeye Name: 5-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(2-methoxyphenyl)isoxazole CAS Name: 5-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-(2-methoxyphenyl)isoxazole IUPAC Name: 5-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(2-methoxyphenyl)-1,2-oxazole Traditional Name: 5-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(2-methoxyphenyl)isoxazole Formula: C23H28N3O4S+ MolecularWeight: 442.55112

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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=C4OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=NO3)C4=CC=CC=C4OC)C

InChI

InChI=1S/C23H27N3O4S/c1-17-8-9-23(18(2)14-17)31(27,28)26-12-10-25(11-13-26)16-19-15-21(24-30-19)20-6-4-5-7-22(20)29-3/h4-9,14-15H,10-13,16H2,1-3H3/p+1