1-[4-(1,3-benzodioxol-5-yloxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazine

Systemtic Name: 1-[4-(1,3-benzodioxol-5-yloxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Openeye Name: 1-[4-(1,3-benzodioxol-5-yloxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazine CAS Name: 1-[4-(1,3-benzodioxol-5-yloxy)-3-nitrophenyl]sulfonyl-4-methylpiperazine IUPAC Name: 1-[4-(1,3-benzodioxol-5-yloxy)-3-nitrophenyl]sulfonyl-4-methylpiperazine Traditional Name: 1-[4-(1,3-benzodioxol-5-yloxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O7S/c1-19-6-8-20(9-7-19)29(24,25)14-3-5-16(15(11-14)21(22)23)28-13-2-4-17-18(10-13)27-12-26-17/h2-5,10-11H,6-9,12H2,1H3