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

Systemtic Name: N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-ethyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-ethyl-N-(3-fluoro-4-methoxy-benzyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H22FNO5S MolecularWeight: 395.445083

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)F)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)F)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H22FNO5S/c1-3-21(13-14-5-7-17(24-2)16(20)11-14)27(22,23)15-6-8-18-19(12-15)26-10-4-9-25-18/h5-8,11-12H,3-4,9-10,13H2,1-2H3