N-(2-cyanoethyl)-N-(phenylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-N-(phenylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide Openeye Name: N-benzyl-N-(2-cyanoethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide CAS Name: N-(2-cyanoethyl)-N-(phenylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide IUPAC Name: N-benzyl-N-(2-cyanoethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide Traditional Name: N-benzyl-N-(2-cyanoethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide Formula: C18H14F6N2O2S MolecularWeight: 436.371379

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F6N2O2S/c19-17(20,21)14-9-15(18(22,23)24)11-16(10-14)29(27,28)26(8-4-7-25)12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,8,12H2