N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-4-nitro-benzenesulfonamide

Systemtic Name: N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-4-nitro-benzenesulfonamide Openeye Name: N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-4-nitro-benzenesulfonamide CAS Name: N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-4-nitrobenzenesulfonamide IUPAC Name: N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-4-nitrobenzenesulfonamide Traditional Name: N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-4-nitro-benzenesulfonamide Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CCCC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O6S/c1-19(27(23,24)16-9-7-15(8-10-16)20(21)22)12-4-5-14-6-11-17(25-2)18(13-14)26-3/h6-11,13H,4-5,12H2,1-3H3