N-[3-(4-fluorophenyl)sulfanylpropyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-[(4-fluorophenyl)thio]propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-[(4-fluorophenyl)thio]propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C18H20FNO4S2 MolecularWeight: 397.484103

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCCSC3=CC=C(C=C3)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCCSC3=CC=C(C=C3)F)OC1

InChI

InChI=1S/C18H20FNO4S2/c19-14-3-5-15(6-4-14)25-12-1-9-20-26(21,22)16-7-8-17-18(13-16)24-11-2-10-23-17/h3-8,13,20H,1-2,9-12H2