ethyl 4-[4-(2-chloranyl-6-fluoranyl-phenyl)carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(2-chloranyl-6-fluoranyl-phenyl)carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(2-chloro-6-fluoro-benzoyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(2-chloro-6-fluorophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(2-chloro-6-fluoro-benzoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C20H20ClFN2O5S MolecularWeight: 454.899603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC=C3Cl)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H20ClFN2O5S/c1-2-29-20(26)14-6-8-15(9-7-14)30(27,28)24-12-10-23(11-13-24)19(25)18-16(21)4-3-5-17(18)22/h3-9H,2,10-13H2,1H3