2-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethanimidate

Systemtic Name: 2-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethanimidate Openeye Name: 2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethanimidate CAS Name: 2-[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethanimidate IUPAC Name: 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethanimidate Traditional Name: 2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetimidate Formula: C15H17BrClN5O3S2 MolecularWeight: 494.81418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)N=C(C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl)[O-]

Isomeric SMILES

CC1=NN=C(S1)N=C(C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl)[O-]

InChI

InChI=1S/C15H17BrClN5O3S2/c1-10-19-20-15(26-10)18-14(23)9-21-4-6-22(7-5-21)27(24,25)13-3-2-11(16)8-12(13)17/h2-3,8H,4-7,9H2,1H3,(H,18,20,23)