5-(4-ethylpiperazin-4-ium-1-yl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazole

Systemtic Name: 5-(4-ethylpiperazin-4-ium-1-yl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazole Openeye Name: 5-(4-ethylpiperazin-4-ium-1-yl)-4-(p-tolylsulfonyl)-2-(2-thienyl)oxazole CAS Name: 5-(4-ethyl-1-piperazin-4-iumyl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yloxazole IUPAC Name: 5-(4-ethylpiperazin-4-ium-1-yl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazole Traditional Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(2-thienyl)-4-tosyl-oxazole Formula: C20H24N3O3S2+ MolecularWeight: 418.55286

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C20H23N3O3S2/c1-3-22-10-12-23(13-11-22)20-19(21-18(26-20)17-5-4-14-27-17)28(24,25)16-8-6-15(2)7-9-16/h4-9,14H,3,10-13H2,1-2H3/p+1