(6-chloranylpyridin-3-yl)methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: (6-chloro-3-pyridyl)methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid (6-chloro-3-pyridyl)methyl 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=CC=CC(=C3)C(=O)OCC4=CN=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CN=C(C=C4)Cl

InChI

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