methyl 4-chloranyl-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]sulfonyl-benzoate

Systemtic Name: methyl 4-chloranyl-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]sulfonyl-benzoate Openeye Name: methyl 4-chloro-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]sulfonyl-benzoate CAS Name: 4-chloro-3-[[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[4-(2-fluorophenyl)sulfonylpiperazino]sulfonyl-benzoic acid methyl ester Formula: C18H18ClFN2O6S2 MolecularWeight: 476.926723

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C18H18ClFN2O6S2/c1-28-18(23)13-6-7-14(19)17(12-13)30(26,27)22-10-8-21(9-11-22)29(24,25)16-5-3-2-4-15(16)20/h2-7,12H,8-11H2,1H3