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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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