N-[4-[bis(fluoranyl)methoxy]phenyl]-2-chloranyl-5,5-bis(oxidanylidene)-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide

Systemtic Name: N-[4-[bis(fluoranyl)methoxy]phenyl]-2-chloranyl-5,5-bis(oxidanylidene)-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide Openeye Name: 2-chloro-N-[4-(difluoromethoxy)phenyl]-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide CAS Name: 2-chloro-N-[4-(difluoromethoxy)phenyl]-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide IUPAC Name: 2-chloro-N-[4-(difluoromethoxy)phenyl]-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide Traditional Name: 2-chloro-N-[4-(difluoromethoxy)phenyl]-5,5-diketo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide Formula: C20H18ClF2N3O4S MolecularWeight: 469.889426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NS(=O)(=O)C3=C(N2CC1)C=C(C(=C3)C(=O)NC4=CC=C(C=C4)OC(F)F)Cl

Isomeric SMILES

C1CCC2=NS(=O)(=O)C3=C(N2CC1)C=C(C(=C3)C(=O)NC4=CC=C(C=C4)OC(F)F)Cl

InChI

InChI=1S/C20H18ClF2N3O4S/c21-15-11-16-17(31(28,29)25-18-4-2-1-3-9-26(16)18)10-14(15)19(27)24-12-5-7-13(8-6-12)30-20(22)23/h5-8,10-11,20H,1-4,9H2,(H,24,27)