1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-nitro-phenyl]sulfonyl-4-methyl-piperazine

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-nitro-phenyl]sulfonyl-4-methyl-piperazine CAS Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-nitrophenyl]sulfonyl-4-methylpiperazine IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-nitrophenyl]sulfonyl-4-methylpiperazine Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Formula: C19H21N3O6S2 MolecularWeight: 451.51654

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S2/c1-20-6-8-21(9-7-20)30(25,26)15-3-5-19(16(13-15)22(23)24)29-14-2-4-17-18(12-14)28-11-10-27-17/h2-5,12-13H,6-11H2,1H3