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

Systemtic Name: 3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]propanoic acid CAS Name: 3-[4-(2-bromophenyl)sulfonyl-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]propanoic acid Traditional Name: 3-[4-(2-bromophenyl)sulfonylpiperazino]propionic acid Formula: C13H17BrN2O4S MolecularWeight: 377.25408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)S(=O)(=O)C2=CC=CC=C2Br

Isomeric SMILES

C1CN(CCN1CCC(=O)O)S(=O)(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C13H17BrN2O4S/c14-11-3-1-2-4-12(11)21(19,20)16-9-7-15(8-10-16)6-5-13(17)18/h1-4H,5-10H2,(H,17,18)