cyanomethyl 4-[[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]methyl]benzoate

Systemtic Name: cyanomethyl 4-[[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]methyl]benzoate Openeye Name: cyanomethyl 4-[[(3-chloro-4-fluoro-phenyl)sulfonylamino]methyl]benzoate CAS Name: 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[(3-chloro-4-fluoro-phenyl)sulfonylamino]methyl]benzoic acid cyanomethyl ester Formula: C16H12ClFN2O4S MolecularWeight: 382.793883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNS(=O)(=O)C2=CC(=C(C=C2)F)Cl)C(=O)OCC#N

Isomeric SMILES

C1=CC(=CC=C1CNS(=O)(=O)C2=CC(=C(C=C2)F)Cl)C(=O)OCC#N

InChI

InChI=1S/C16H12ClFN2O4S/c17-14-9-13(5-6-15(14)18)25(22,23)20-10-11-1-3-12(4-2-11)16(21)24-8-7-19/h1-6,9,20H,8,10H2