2-chloranyl-4-fluoranyl-5-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-4-fluoranyl-5-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-chloro-4-fluoro-5-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 2-chloro-4-fluoro-5-[[4-(4-nitrophenyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2-chloro-4-fluoro-5-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 2-chloro-4-fluoro-5-[4-(4-nitrophenyl)piperazino]sulfonyl-benzoic acid Formula: C17H15ClFN3O6S MolecularWeight: 443.833903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)F

InChI

InChI=1S/C17H15ClFN3O6S/c18-14-10-15(19)16(9-13(14)17(23)24)29(27,28)21-7-5-20(6-8-21)11-1-3-12(4-2-11)22(25)26/h1-4,9-10H,5-8H2,(H,23,24)