methyl 4-chloranyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate

Systemtic Name: methyl 4-chloranyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate Openeye Name: methyl 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate CAS Name: 4-chloro-3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[4-(4-fluorophenyl)piperazino]sulfonyl-benzoic acid methyl ester Formula: C18H18ClFN2O4S MolecularWeight: 412.862923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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