4-chloranyl-N-(cyanomethyl)-N-(phenylmethyl)-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(cyanomethyl)-N-(phenylmethyl)-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-benzyl-4-chloro-N-(cyanomethyl)-3-(trifluoromethyl)benzenesulfonamide CAS Name: 4-chloro-N-(cyanomethyl)-N-(phenylmethyl)-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-benzyl-4-chloro-N-(cyanomethyl)-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-benzyl-4-chloro-N-(cyanomethyl)-3-(trifluoromethyl)benzenesulfonamide Formula: C16H12ClF3N2O2S MolecularWeight: 388.79189

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC#N)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN(CC#N)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C16H12ClF3N2O2S/c17-15-7-6-13(10-14(15)16(18,19)20)25(23,24)22(9-8-21)11-12-4-2-1-3-5-12/h1-7,10H,9,11H2