2-[4-methoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-5-phenyl-1,3,4-oxadiazole

Systemtic Name: 2-[4-methoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-5-phenyl-1,3,4-oxadiazole Openeye Name: 2-[4-methoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-5-phenyl-1,3,4-oxadiazole CAS Name: 2-[4-methoxy-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-5-phenyl-1,3,4-oxadiazole IUPAC Name: 2-[4-methoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-5-phenyl-1,3,4-oxadiazole Traditional Name: 2-[4-methoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-5-phenyl-1,3,4-oxadiazole Formula: C20H23N4O4S+ MolecularWeight: 415.48602

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C3=NN=C(O3)C4=CC=CC=C4)OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C3=NN=C(O3)C4=CC=CC=C4)OC

InChI

InChI=1S/C20H22N4O4S/c1-23-10-12-24(13-11-23)29(25,26)18-14-16(8-9-17(18)27-2)20-22-21-19(28-20)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3/p+1