2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole

Systemtic Name: 2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-oxazole Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(4-chlorophenyl)-4-(p-tolylsulfonyl)oxazole CAS Name: 2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]oxazole IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(4-chlorophenyl)-4-tosyl-oxazole Formula: C27H27ClN3O3S+ MolecularWeight: 509.03958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=C(C=C3)Cl)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=C(C=C3)Cl)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H26ClN3O3S/c1-20-7-13-24(14-8-20)35(32,33)26-27(34-25(29-26)22-9-11-23(28)12-10-22)31-17-15-30(16-18-31)19-21-5-3-2-4-6-21/h2-14H,15-19H2,1H3/p+1