pyridin-2-ylmethyl 4-chloranyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate

Systemtic Name: pyridin-2-ylmethyl 4-chloranyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate Openeye Name: 2-pyridylmethyl 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate CAS Name: 4-chloro-3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[4-(4-fluorophenyl)piperazino]sulfonyl-benzoic acid 2-pyridylmethyl ester Formula: C23H21ClFN3O4S MolecularWeight: 489.946943

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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)OCC4=CC=CC=N4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC4=CC=CC=N4)Cl

InChI

InChI=1S/C23H21ClFN3O4S/c24-21-9-4-17(23(29)32-16-19-3-1-2-10-26-19)15-22(21)33(30,31)28-13-11-27(12-14-28)20-7-5-18(25)6-8-20/h1-10,15H,11-14,16H2