2-methoxy-5-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzenesulfonamide

Systemtic Name: 2-methoxy-5-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzenesulfonamide Openeye Name: 2-methoxy-5-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzenesulfonamide CAS Name: 2-methoxy-5-nitro-N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)benzenesulfonamide IUPAC Name: 2-methoxy-5-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzenesulfonamide Traditional Name: 2-methoxy-5-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzenesulfonamide Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2)OC4(O3)CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2)OC4(O3)CCCC4

InChI

InChI=1S/C18H18N2O7S/c1-25-15-7-5-13(20(21)22)11-17(15)28(23,24)19-12-4-6-14-16(10-12)27-18(26-14)8-2-3-9-18/h4-7,10-11,19H,2-3,8-9H2,1H3