2-[4-(2-sulfonatophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonate

Systemtic Name: 2-[4-(2-sulfonatophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonate Openeye Name: 2-[4-(2-sulfonatobenzoyl)piperazine-1-carbonyl]benzenesulfonate CAS Name: 2-[oxo-[4-[oxo-(2-sulfonatophenyl)methyl]-1-piperazinyl]methyl]benzenesulfonate IUPAC Name: 2-[4-(2-sulfonatobenzoyl)piperazine-1-carbonyl]benzenesulfonate Traditional Name: 2-[4-(2-sulfonatobenzoyl)piperazine-1-carbonyl]besylate Formula: C18H16N2O8S2-2 MolecularWeight: 452.45824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2S(=O)(=O)[O-])C(=O)C3=CC=CC=C3S(=O)(=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2S(=O)(=O)[O-])C(=O)C3=CC=CC=C3S(=O)(=O)[O-]

InChI

InChI=1S/C18H18N2O8S2/c21-17(13-5-1-3-7-15(13)29(23,24)25)19-9-11-20(12-10-19)18(22)14-6-2-4-8-16(14)30(26,27)28/h1-8H,9-12H2,(H,23,24,25)(H,26,27,28)/p-2