2-[4-[bis(fluoranyl)methylsulfonyl]phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[4-[bis(fluoranyl)methylsulfonyl]phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[4-(difluoromethylsulfonyl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[[4-(difluoromethylsulfonyl)phenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[4-(difluoromethylsulfonyl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[4-(difluoromethylsulfonyl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H16F2N2O4S MolecularWeight: 394.392446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F)C(=O)N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F)C(=O)N

InChI

InChI=1S/C18H16F2N2O4S/c19-18(20)27(25,26)14-7-5-11(6-8-14)17(24)22-10-13-4-2-1-3-12(13)9-15(22)16(21)23/h1-8,15,18H,9-10H2,(H2,21,23)