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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(2-nitrophenyl)piperazine Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(2-nitrophenyl)piperazine CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(2-nitrophenyl)piperazine IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(2-nitrophenyl)piperazine Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(2-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=CC=C4[N+](=O)[O-])OC1

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6S/c23-22(24)17-5-2-1-4-16(17)20-8-10-21(11-9-20)29(25,26)15-6-7-18-19(14-15)28-13-3-12-27-18/h1-2,4-7,14H,3,8-13H2