N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]ethoxy]-2-nitro-phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]ethoxy]-2-nitro-phenyl]methanesulfonamide Openeye Name: N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]ethoxy]-2-nitro-phenyl]methanesulfonamide CAS Name: N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethoxy]-2-nitrophenyl]methanesulfonamide IUPAC Name: N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethoxy]-2-nitrophenyl]methanesulfonamide Traditional Name: N-[4-[2-[homoveratryl(methyl)amino]ethoxy]-2-nitro-phenyl]methanesulfonamide Formula: C20H27N3O7S MolecularWeight: 453.50928

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)CCOC2=CC(=C(C=C2)NS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)CCOC2=CC(=C(C=C2)NS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O7S/c1-22(10-9-15-5-8-19(28-2)20(13-15)29-3)11-12-30-16-6-7-17(21-31(4,26)27)18(14-16)23(24)25/h5-8,13-14,21H,9-12H2,1-4H3