2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-N-(2-nitrophenyl)acetamide Formula: C21H24N4O7S MolecularWeight: 476.50286

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC(=O)NC4=CC=CC=C4[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC(=O)NC4=CC=CC=C4[N+](=O)[O-])OC1

InChI

InChI=1S/C21H24N4O7S/c26-21(22-17-4-1-2-5-18(17)25(27)28)15-23-8-10-24(11-9-23)33(29,30)16-6-7-19-20(14-16)32-13-3-12-31-19/h1-2,4-7,14H,3,8-13,15H2,(H,22,26)