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

Systemtic Name: 3-(4-chlorophenyl)-5-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 5-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-3-(4-chlorophenyl)isoxazole CAS Name: 3-(4-chlorophenyl)-5-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 5-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-3-(4-chlorophenyl)-1,2-oxazole Traditional Name: 5-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-3-(4-chlorophenyl)isoxazole Formula: C21H23ClN3O3S+ MolecularWeight: 432.94362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=NO2)C3=CC=C(C=C3)Cl)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=NO2)C3=CC=C(C=C3)Cl)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H22ClN3O3S/c22-19-8-6-18(7-9-19)21-14-20(28-23-21)15-24-10-12-25(13-11-24)29(26,27)16-17-4-2-1-3-5-17/h1-9,14H,10-13,15-16H2/p+1