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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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