N-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C23H26FN3O6S MolecularWeight: 491.532443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4)F

InChI

InChI=1S/C23H26FN3O6S/c1-16(28)17-3-5-20(19(24)13-17)26-7-9-27(10-8-26)23(29)15-25-34(30,31)18-4-6-21-22(14-18)33-12-2-11-32-21/h3-6,13-14,25H,2,7-12,15H2,1H3