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

Systemtic Name: 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]propanoic acid CAS Name: 3-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]propanoic acid Traditional Name: 3-(4-brosylpiperazino)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=C(C=C2)Br

Isomeric SMILES

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

InChI

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