N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-3-nitro-benzenesulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1-methyl-4-pyrazolyl)methyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-3-nitrobenzenesulfonamide Traditional Name: N-homoveratryl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitro-benzenesulfonamide Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN(CCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)CN(CCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O6S/c1-23-14-17(13-22-23)15-24(10-9-16-7-8-20(30-2)21(11-16)31-3)32(28,29)19-6-4-5-18(12-19)25(26)27/h4-8,11-14H,9-10,15H2,1-3H3