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

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanone Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanone CAS Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-2-(2-methoxy-5-nitrophenoxy)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-(2-methoxy-5-nitrophenoxy)ethanone Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-2-(2-methoxy-5-nitro-phenoxy)ethanone Formula: C21H23N3O9S MolecularWeight: 493.48702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23N3O9S/c1-30-17-4-2-15(24(26)27)12-19(17)33-14-21(25)22-6-8-23(9-7-22)34(28,29)16-3-5-18-20(13-16)32-11-10-31-18/h2-5,12-13H,6-11,14H2,1H3