3-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]propanoic acid Traditional Name: 3-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]propionic acid Formula: C11H15BrN2O4S2 MolecularWeight: 383.2818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)S(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

C1CN(CCN1CCC(=O)O)S(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C11H15BrN2O4S2/c12-9-1-2-11(19-9)20(17,18)14-7-5-13(6-8-14)4-3-10(15)16/h1-2H,3-8H2,(H,15,16)