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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitrobenzenesulfonamide Traditional Name: N-homoveratryl-4-nitro-benzenesulfonamide Formula: C16H18N2O6S MolecularWeight: 366.38892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H18N2O6S/c1-23-15-8-3-12(11-16(15)24-2)9-10-17-25(21,22)14-6-4-13(5-7-14)18(19)20/h3-8,11,17H,9-10H2,1-2H3