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

Systemtic Name: 5-(furan-2-yl)-3-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 5-(2-furyl)-3-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 5-(2-furanyl)-3-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 5-(furan-2-yl)-3-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 5-(2-furyl)-3-[(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)methyl]isoxazole Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-16(2)17-5-7-19(8-6-17)29(25,26)24-11-9-23(10-12-24)15-18-14-21(28-22-18)20-4-3-13-27-20/h3-8,13-14,16H,9-12,15H2,1-2H3/p+1