2-chloranyl-4-fluoranyl-5-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-4-fluoranyl-5-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-chloro-4-fluoro-5-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-benzoic acid CAS Name: 2-chloro-4-fluoro-5-[[4-(2-pyrazinyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2-chloro-4-fluoro-5-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 2-chloro-4-fluoro-5-(4-pyrazin-2-ylpiperazino)sulfonyl-benzoic acid Formula: C15H14ClFN4O4S MolecularWeight: 400.812463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CN=C2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)F

Isomeric SMILES

C1CN(CCN1C2=NC=CN=C2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)F

InChI

InChI=1S/C15H14ClFN4O4S/c16-11-8-12(17)13(7-10(11)15(22)23)26(24,25)21-5-3-20(4-6-21)14-9-18-1-2-19-14/h1-2,7-9H,3-6H2,(H,22,23)