1-[4-(1,3-benzodioxol-5-yloxy)-3-nitro-phenyl]sulfonylpiperidine

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O7S/c21-20(22)15-11-14(28(23,24)19-8-2-1-3-9-19)5-7-16(15)27-13-4-6-17-18(10-13)26-12-25-17/h4-7,10-11H,1-3,8-9,12H2