methyl 2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: methyl 2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: methyl 2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C11H16BrN2O4S2+ MolecularWeight: 384.28974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

COC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C11H15BrN2O4S2/c1-18-10(15)8-13-4-6-14(7-5-13)20(16,17)11-3-2-9(12)19-11/h2-3H,4-8H2,1H3/p+1