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

Systemtic Name: 5-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]sulfonyl-2-fluoranyl-benzoate Openeye Name: 5-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]sulfonyl-2-fluoro-benzoate CAS Name: 5-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]sulfonyl]-2-fluorobenzoate IUPAC Name: 5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-2-fluorobenzoate Traditional Name: 5-[4-(5-chloro-2-methyl-phenyl)piperazino]sulfonyl-2-fluoro-benzoate Formula: C18H17ClFN2O4S- MolecularWeight: 411.854983

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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)/p-1