2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[4-(2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[4-(2-nitrophenyl)piperazino]ethanone Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H21N3O5S/c24-20(14-29-15-5-6-18-19(13-15)28-12-11-27-18)22-9-7-21(8-10-22)16-3-1-2-4-17(16)23(25)26/h1-6,13H,7-12,14H2