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

Systemtic Name: (4-cyanophenyl) 4-chloranyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate Openeye Name: (4-cyanophenyl) 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate CAS Name: 4-chloro-3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[4-(4-fluorophenyl)piperazino]sulfonyl-benzoic acid (4-cyanophenyl) ester Formula: C24H19ClFN3O4S MolecularWeight: 499.941763

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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=C(C=C4)C#N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H19ClFN3O4S/c25-22-10-3-18(24(30)33-21-8-1-17(16-27)2-9-21)15-23(22)34(31,32)29-13-11-28(12-14-29)20-6-4-19(26)5-7-20/h1-10,15H,11-14H2