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

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-methyl-3-methylsulfonyl-benzamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-methyl-3-methylsulfonyl-benzamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-methyl-3-methylsulfonylbenzamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-methyl-3-methylsulfonylbenzamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-mesyl-4-methyl-benzamide Formula: C19H22N2O7S MolecularWeight: 422.45218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O7S/c1-12-5-6-14(10-18(12)29(4,25)26)19(22)20-8-7-13-9-16(27-2)17(28-3)11-15(13)21(23)24/h5-6,9-11H,7-8H2,1-4H3,(H,20,22)