methyl 3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(2-chloro-6-fluoro-benzyl)piperazino]sulfonylbenzoic acid methyl ester Formula: C19H20ClFN2O4S MolecularWeight: 426.889503

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H20ClFN2O4S/c1-27-19(24)14-4-2-5-15(12-14)28(25,26)23-10-8-22(9-11-23)13-16-17(20)6-3-7-18(16)21/h2-7,12H,8-11,13H2,1H3