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

Systemtic Name: 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole Openeye Name: 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(2-furyl)isoxazole CAS Name: 3-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-(2-furanyl)isoxazole IUPAC Name: 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole Traditional Name: 3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(2-furyl)isoxazole Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CO4)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CO4)C

InChI

InChI=1S/C20H23N3O4S/c1-15-5-6-20(16(2)12-15)28(24,25)23-9-7-22(8-10-23)14-17-13-19(27-21-17)18-4-3-11-26-18/h3-6,11-13H,7-10,14H2,1-2H3/p+1