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

Systemtic Name: 5-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]sulfonyl-2-fluoranyl-benzoic acid Openeye Name: 5-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]sulfonyl-2-fluoro-benzoic acid CAS Name: 5-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]sulfonyl]-2-fluorobenzoic acid IUPAC Name: 5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-2-fluorobenzoic acid Traditional Name: 5-[4-(5-chloro-2-methyl-phenyl)piperazino]sulfonyl-2-fluoro-benzoic acid Formula: C18H18ClFN2O4S MolecularWeight: 412.862923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

InChI

InChI=1S/C18H18ClFN2O4S/c1-12-2-3-13(19)10-17(12)21-6-8-22(9-7-21)27(25,26)14-4-5-16(20)15(11-14)18(23)24/h2-5,10-11H,6-9H2,1H3,(H,23,24)