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

Systemtic Name: phenyl 4-chloranyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate Openeye Name: phenyl 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate CAS Name: 4-chloro-3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid phenyl ester IUPAC Name: phenyl 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[4-(4-fluorophenyl)piperazino]sulfonyl-benzoic acid phenyl ester Formula: C23H20ClFN2O4S MolecularWeight: 474.932303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OC4=CC=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H20ClFN2O4S/c24-21-11-6-17(23(28)31-20-4-2-1-3-5-20)16-22(21)32(29,30)27-14-12-26(13-15-27)19-9-7-18(25)8-10-19/h1-11,16H,12-15H2