N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-homoveratryl-N,2-dimethyl-5-nitro-benzenesulfonamide Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H22N2O6S/c1-13-5-7-15(20(21)22)12-18(13)27(23,24)19(2)10-9-14-6-8-16(25-3)17(11-14)26-4/h5-8,11-12H,9-10H2,1-4H3