N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-cyclopropyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-cyclopropyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-cyclopropyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(2-chloro-6-fluoro-benzyl)-N-cyclopropyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H19ClFNO4S MolecularWeight: 411.874863

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N(CC3=C(C=CC=C3Cl)F)C4CC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N(CC3=C(C=CC=C3Cl)F)C4CC4)OC1

InChI

InChI=1S/C19H19ClFNO4S/c20-16-3-1-4-17(21)15(16)12-22(13-5-6-13)27(23,24)14-7-8-18-19(11-14)26-10-2-9-25-18/h1,3-4,7-8,11,13H,2,5-6,9-10,12H2