1-[4-(1,3-benzodioxol-5-ylmethoxy)-3-nitro-phenyl]sulfonylpyrrolidine

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethoxy)-3-nitro-phenyl]sulfonylpyrrolidine Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethoxy)-3-nitro-phenyl]sulfonylpyrrolidine CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethoxy)-3-nitrophenyl]sulfonylpyrrolidine IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethoxy)-3-nitrophenyl]sulfonylpyrrolidine Traditional Name: 1-(3-nitro-4-piperonyloxy-phenyl)sulfonylpyrrolidine Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O7S/c21-20(22)15-10-14(28(23,24)19-7-1-2-8-19)4-6-16(15)25-11-13-3-5-17-18(9-13)27-12-26-17/h3-6,9-10H,1-2,7-8,11-12H2