N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C17H19N3O8S MolecularWeight: 425.41306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O8S/c1-11-4-5-13(9-14(11)19(21)22)29(25,26)18-7-6-12-8-16(27-2)17(28-3)10-15(12)20(23)24/h4-5,8-10,18H,6-7H2,1-3H3