2-[4-(2-sulfophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonic acid

Systemtic Name: 2-[4-(2-sulfophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonic acid Openeye Name: 2-[4-(2-sulfobenzoyl)piperazine-1-carbonyl]benzenesulfonic acid CAS Name: 2-[oxo-[4-[oxo-(2-sulfophenyl)methyl]-1-piperazinyl]methyl]benzenesulfonic acid IUPAC Name: 2-[4-(2-sulfobenzoyl)piperazine-1-carbonyl]benzenesulfonic acid Traditional Name: 2-[4-(2-sulfobenzoyl)piperazine-1-carbonyl]besylic acid Formula: C18H18N2O8S2 MolecularWeight: 454.47412

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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)