1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-(5-methyl-2-nitro-phenoxy)ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-(5-methyl-2-nitro-phenoxy)ethanone Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-(5-methyl-2-nitro-phenoxy)ethanone CAS Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-2-(5-methyl-2-nitrophenoxy)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-(5-methyl-2-nitrophenoxy)ethanone Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-2-(5-methyl-2-nitro-phenoxy)ethanone Formula: C21H23N3O8S MolecularWeight: 477.48762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23N3O8S/c1-15-2-4-17(24(26)27)19(12-15)32-14-21(25)22-6-8-23(9-7-22)33(28,29)16-3-5-18-20(13-16)31-11-10-30-18/h2-5,12-13H,6-11,14H2,1H3