N-[[4-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[[4-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methyl]-2-nitro-benzenesulfonamide Openeye Name: N-[[4-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methyl]-2-nitro-benzenesulfonamide CAS Name: N-[[4-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[[4-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methyl]-2-nitrobenzenesulfonamide Traditional Name: 2-nitro-N-[[4-[(veratrylamino)methyl]cyclohexyl]methyl]benzenesulfonamide Formula: C23H31N3O6S MolecularWeight: 477.57374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCC2CCC(CC2)CNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNCC2CCC(CC2)CNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C23H31N3O6S/c1-31-21-12-11-19(13-22(21)32-2)15-24-14-17-7-9-18(10-8-17)16-25-33(29,30)23-6-4-3-5-20(23)26(27)28/h3-6,11-13,17-18,24-25H,7-10,14-16H2,1-2H3