N-[1-(4,5-dimethoxy-2-methyl-phenyl)ethyl]-4-methylsulfonyl-3-nitro-benzamide

Systemtic Name: N-[1-(4,5-dimethoxy-2-methyl-phenyl)ethyl]-4-methylsulfonyl-3-nitro-benzamide Openeye Name: N-[1-(4,5-dimethoxy-2-methyl-phenyl)ethyl]-4-methylsulfonyl-3-nitro-benzamide CAS Name: N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-methylsulfonyl-3-nitrobenzamide IUPAC Name: N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-methylsulfonyl-3-nitrobenzamide Traditional Name: N-[1-(4,5-dimethoxy-2-methyl-phenyl)ethyl]-4-mesyl-3-nitro-benzamide Formula: C19H22N2O7S MolecularWeight: 422.45218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)NC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C(C)NC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C19H22N2O7S/c1-11-8-16(27-3)17(28-4)10-14(11)12(2)20-19(22)13-6-7-18(29(5,25)26)15(9-13)21(23)24/h6-10,12H,1-5H3,(H,20,22)