[2-(1-naphthalen-2-ylethylamino)-2-oxidanylidene-ethyl] 4-[bis(fluoranyl)methylsulfonyl]benzoate

Systemtic Name: [2-(1-naphthalen-2-ylethylamino)-2-oxidanylidene-ethyl] 4-[bis(fluoranyl)methylsulfonyl]benzoate Openeye Name: [2-[1-(2-naphthyl)ethylamino]-2-oxo-ethyl] 4-(difluoromethylsulfonyl)benzoate CAS Name: 4-(difluoromethylsulfonyl)benzoic acid [2-[1-(2-naphthalenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-(1-naphthalen-2-ylethylamino)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate Traditional Name: 4-(difluoromethylsulfonyl)benzoic acid [2-keto-2-[1-(2-naphthyl)ethylamino]ethyl] ester Formula: C22H19F2NO5S MolecularWeight: 447.451766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2C=C1)NC(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F

Isomeric SMILES

CC(C1=CC2=CC=CC=C2C=C1)NC(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F

InChI

InChI=1S/C22H19F2NO5S/c1-14(17-7-6-15-4-2-3-5-18(15)12-17)25-20(26)13-30-21(27)16-8-10-19(11-9-16)31(28,29)22(23)24/h2-12,14,22H,13H2,1H3,(H,25,26)