4-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-4-keto-butyric acid Formula: C12H15BrN2O5S2 MolecularWeight: 411.2919

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)O)S(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)O)S(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C12H15BrN2O5S2/c13-9-1-4-12(21-9)22(19,20)15-7-5-14(6-8-15)10(16)2-3-11(17)18/h1,4H,2-3,5-8H2,(H,17,18)