1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-3-nitro-phenyl]ethanone Formula: C20H21N3O7S MolecularWeight: 447.46164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O7S/c1-14(24)15-2-4-17(18(12-15)23(25)26)21-6-8-22(9-7-21)31(27,28)16-3-5-19-20(13-16)30-11-10-29-19/h2-5,12-13H,6-11H2,1H3