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

Systemtic Name: 3-(4-methoxyphenyl)-5-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 5-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)isoxazole CAS Name: 5-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-3-(4-methoxyphenyl)isoxazole IUPAC Name: 5-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)-1,2-oxazole Traditional Name: 5-[(4-besylpiperazin-1-ium-1-yl)methyl]-3-(4-methoxyphenyl)isoxazole Formula: C21H24N3O4S+ MolecularWeight: 414.49796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O4S/c1-27-18-9-7-17(8-10-18)21-15-19(28-22-21)16-23-11-13-24(14-12-23)29(25,26)20-5-3-2-4-6-20/h2-10,15H,11-14,16H2,1H3/p+1