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

Systemtic Name: N-[(4-fluoranyl-3-methyl-phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(4-fluoro-3-methyl-phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(4-fluoro-3-methyl-benzyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C17H18FNO4S MolecularWeight: 351.392523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)F

InChI

InChI=1S/C17H18FNO4S/c1-12-9-13(3-5-15(12)18)11-19-24(20,21)14-4-6-16-17(10-14)23-8-2-7-22-16/h3-6,9-10,19H,2,7-8,11H2,1H3