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

Systemtic Name: 2-(4-methoxyphenyl)-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-4-(phenylsulfonyl)-1,3-oxazole Openeye Name: 4-(benzenesulfonyl)-5-(4-benzylpiperazin-4-ium-1-yl)-2-(4-methoxyphenyl)oxazole CAS Name: 4-(benzenesulfonyl)-2-(4-methoxyphenyl)-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]oxazole IUPAC Name: 4-(benzenesulfonyl)-5-(4-benzylpiperazin-4-ium-1-yl)-2-(4-methoxyphenyl)-1,3-oxazole Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-4-besyl-2-(4-methoxyphenyl)oxazole Formula: C27H28N3O4S+ MolecularWeight: 490.59392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(O2)N3CC[NH+](CC3)CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(O2)N3CC[NH+](CC3)CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O4S/c1-33-23-14-12-22(13-15-23)25-28-26(35(31,32)24-10-6-3-7-11-24)27(34-25)30-18-16-29(17-19-30)20-21-8-4-2-5-9-21/h2-15H,16-20H2,1H3/p+1