N-[[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methyl]-2-nitro-benzenesulfonamide Openeye Name: N-[[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methyl]-2-nitro-benzenesulfonamide CAS Name: N-[[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methyl]-2-nitrobenzenesulfonamide Traditional Name: 2-nitro-N-[[4-[(piperonylamino)methyl]cyclohexyl]methyl]benzenesulfonamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNCC2=CC3=C(C=C2)OCO3)CNS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1CNCC2=CC3=C(C=C2)OCO3)CNS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O6S/c26-25(27)19-3-1-2-4-22(19)32(28,29)24-14-17-7-5-16(6-8-17)12-23-13-18-9-10-20-21(11-18)31-15-30-20/h1-4,9-11,16-17,23-24H,5-8,12-15H2