N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitro-N-prop-2-enyl-benzenesulfonamide

Systemtic Name: N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitro-N-prop-2-enyl-benzenesulfonamide Openeye Name: N-allyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitro-benzenesulfonamide CAS Name: N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitro-N-prop-2-enylbenzenesulfonamide IUPAC Name: N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitro-N-prop-2-enylbenzenesulfonamide Traditional Name: N-allyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitro-benzenesulfonamide Formula: C20H20N4O7S MolecularWeight: 460.4604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)CN(CC=C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)CN(CC=C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H20N4O7S/c1-4-11-23(32(27,28)16-8-6-15(7-9-16)24(25)26)13-19-21-20(22-31-19)14-5-10-17(29-2)18(12-14)30-3/h4-10,12H,1,11,13H2,2-3H3