3-[4-(3-carboxyphenyl)sulfonylpiperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[4-(3-carboxyphenyl)sulfonylpiperazin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[4-(3-carboxyphenyl)sulfonylpiperazin-1-yl]sulfonylbenzoic acid CAS Name: 3-[[4-(3-carboxyphenyl)sulfonyl-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-(3-carboxyphenyl)sulfonylpiperazin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[4-(3-carboxyphenyl)sulfonylpiperazino]sulfonylbenzoic acid Formula: C18H18N2O8S2 MolecularWeight: 454.47412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H18N2O8S2/c21-17(22)13-3-1-5-15(11-13)29(25,26)19-7-9-20(10-8-19)30(27,28)16-6-2-4-14(12-16)18(23)24/h1-6,11-12H,7-10H2,(H,21,22)(H,23,24)