4-(4-methylphenyl)sulfonyl-5-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-1,3-oxazole

Systemtic Name: 4-(4-methylphenyl)sulfonyl-5-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-1,3-oxazole Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-4-(p-tolylsulfonyl)oxazole CAS Name: 4-(4-methylphenyl)sulfonyl-5-(4-methyl-1-piperazin-4-iumyl)-2-phenyloxazole IUPAC Name: 4-(4-methylphenyl)sulfonyl-5-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-1,3-oxazole Traditional Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-4-tosyl-oxazole Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-16-8-10-18(11-9-16)28(25,26)20-21(24-14-12-23(2)13-15-24)27-19(22-20)17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3/p+1