6-chloranyl-N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-(4-fluoro-3-morpholinosulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[4-fluoro-3-(4-morpholinylsulfonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-(4-fluoro-3-morpholinosulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C20H20ClFN2O6S MolecularWeight: 470.899003

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4)Cl)OC1

InChI

InChI=1S/C20H20ClFN2O6S/c21-15-10-13(11-17-19(15)30-7-1-6-29-17)20(25)23-14-2-3-16(22)18(12-14)31(26,27)24-4-8-28-9-5-24/h2-3,10-12H,1,4-9H2,(H,23,25)