methyl 2-[[4-[bis(fluoranyl)methylsulfonyl]phenyl]carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[[4-[bis(fluoranyl)methylsulfonyl]phenyl]carbonylamino]-3-methyl-butanoate Openeye Name: methyl 2-[[4-(difluoromethylsulfonyl)benzoyl]amino]-3-methyl-butanoate CAS Name: 2-[[[4-(difluoromethylsulfonyl)phenyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[4-(difluoromethylsulfonyl)benzoyl]amino]-3-methylbutanoate Traditional Name: 2-[[4-(difluoromethylsulfonyl)benzoyl]amino]-3-methyl-butyric acid methyl ester Formula: C14H17F2NO5S MolecularWeight: 349.350286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1=CC=C(C=C1)S(=O)(=O)C(F)F

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)C1=CC=C(C=C1)S(=O)(=O)C(F)F

InChI

InChI=1S/C14H17F2NO5S/c1-8(2)11(13(19)22-3)17-12(18)9-4-6-10(7-5-9)23(20,21)14(15)16/h4-8,11,14H,1-3H3,(H,17,18)