N-[4-[bis(fluoranyl)methylsulfonyl]phenyl]-3,4,5-trimethoxy-2-nitro-benzamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfonyl]phenyl]-3,4,5-trimethoxy-2-nitro-benzamide Openeye Name: N-[4-(difluoromethylsulfonyl)phenyl]-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: N-[4-(difluoromethylsulfonyl)phenyl]-3,4,5-trimethoxy-2-nitrobenzamide IUPAC Name: N-[4-(difluoromethylsulfonyl)phenyl]-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-[4-(difluoromethylsulfonyl)phenyl]-3,4,5-trimethoxy-2-nitro-benzamide Formula: C17H16F2N2O8S MolecularWeight: 446.379346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C(F)F)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C(F)F)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C17H16F2N2O8S/c1-27-12-8-11(13(21(23)24)15(29-3)14(12)28-2)16(22)20-9-4-6-10(7-5-9)30(25,26)17(18)19/h4-8,17H,1-3H3,(H,20,22)