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

Systemtic Name: 2-chloranyl-5-(4-cyclohexylcarbonylpiperazin-1-yl)sulfonyl-4-fluoranyl-benzoic acid Openeye Name: 2-chloro-5-[4-(cyclohexanecarbonyl)piperazin-1-yl]sulfonyl-4-fluoro-benzoic acid CAS Name: 2-chloro-5-[[4-[cyclohexyl(oxo)methyl]-1-piperazinyl]sulfonyl]-4-fluorobenzoic acid IUPAC Name: 2-chloro-5-[4-(cyclohexanecarbonyl)piperazin-1-yl]sulfonyl-4-fluorobenzoic acid Traditional Name: 2-chloro-5-[4-(cyclohexanecarbonyl)piperazino]sulfonyl-4-fluoro-benzoic acid Formula: C18H22ClFN2O5S MolecularWeight: 432.894083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)F

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)F

InChI

InChI=1S/C18H22ClFN2O5S/c19-14-11-15(20)16(10-13(14)18(24)25)28(26,27)22-8-6-21(7-9-22)17(23)12-4-2-1-3-5-12/h10-12H,1-9H2,(H,24,25)