4-[4-ethanoyl-2-(methoxymethyl)phenoxy]-N,N-dimethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-ethanoyl-2-(methoxymethyl)phenoxy]-N,N-dimethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-acetyl-2-(methoxymethyl)phenoxy]-N,N-dimethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-acetyl-2-(methoxymethyl)phenoxy]-N,N-dimethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-acetyl-2-(methoxymethyl)phenoxy]-N,N-dimethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-acetyl-2-(methoxymethyl)phenoxy]-N,N-dimethyl-3-nitro-benzenesulfonamide Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-])COC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-])COC

InChI

InChI=1S/C18H20N2O7S/c1-12(21)13-5-7-17(14(9-13)11-26-4)27-18-8-6-15(10-16(18)20(22)23)28(24,25)19(2)3/h5-10H,11H2,1-4H3