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

Systemtic Name: cyanomethyl 4-chloranyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate Openeye Name: cyanomethyl 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate CAS Name: 4-chloro-3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[4-(4-fluorophenyl)piperazino]sulfonyl-benzoic acid cyanomethyl ester Formula: C19H17ClFN3O4S MolecularWeight: 437.872383

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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)OCC#N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClFN3O4S/c20-17-6-1-14(19(25)28-12-7-22)13-18(17)29(26,27)24-10-8-23(9-11-24)16-4-2-15(21)3-5-16/h1-6,13H,8-12H2