1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(5-fluoranyl-2-nitro-phenyl)piperazine

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(5-fluoranyl-2-nitro-phenyl)piperazine Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(5-fluoro-2-nitro-phenyl)piperazine CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(5-fluoro-2-nitrophenyl)piperazine IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(5-fluoro-2-nitrophenyl)piperazine Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(5-fluoro-2-nitro-phenyl)piperazine Formula: C19H20FN3O6S MolecularWeight: 437.442003

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=CC(=C4)F)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=CC(=C4)F)[N+](=O)[O-])OC1

InChI

InChI=1S/C19H20FN3O6S/c20-14-2-4-16(23(24)25)17(12-14)21-6-8-22(9-7-21)30(26,27)15-3-5-18-19(13-15)29-11-1-10-28-18/h2-5,12-13H,1,6-11H2