1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(4-nitrophenyl)piperazine

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(4-nitrophenyl)piperazine Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(4-nitrophenyl)piperazine CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(4-nitrophenyl)piperazine IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(4-nitrophenyl)piperazine Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(4-nitrophenyl)piperazine Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6S/c23-22(24)16-4-2-15(3-5-16)20-8-10-21(11-9-20)29(25,26)17-6-7-18-19(14-17)28-13-1-12-27-18/h2-7,14H,1,8-13H2