4-[bis(fluoranyl)methylsulfonyl]-N-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-ethyl-benzamide

Systemtic Name: 4-[bis(fluoranyl)methylsulfonyl]-N-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-ethyl-benzamide Openeye Name: N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-4-(difluoromethylsulfonyl)-N-ethyl-benzamide CAS Name: N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-4-(difluoromethylsulfonyl)-N-ethylbenzamide IUPAC Name: N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-4-(difluoromethylsulfonyl)-N-ethylbenzamide Traditional Name: N-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-4-(difluoromethylsulfonyl)-N-ethyl-benzamide Formula: C19H16ClF2N3O4S MolecularWeight: 455.862846

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F

Isomeric SMILES

CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F

InChI

InChI=1S/C19H16ClF2N3O4S/c1-2-25(10-16-23-15-9-12(20)5-8-14(15)17(26)24-16)18(27)11-3-6-13(7-4-11)30(28,29)19(21)22/h3-9,19H,2,10H2,1H3,(H,23,24,26)