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

Systemtic Name: 5-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: 5-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: 5-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-5-oxopentanoic acid Traditional Name: 5-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-5-keto-valeric acid Formula: C13H17BrN2O5S2 MolecularWeight: 425.31848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrN2O5S2/c14-10-4-5-13(22-10)23(20,21)16-8-6-15(7-9-16)11(17)2-1-3-12(18)19/h4-5H,1-3,6-9H2,(H,18,19)