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

Systemtic Name: 3,5-dimethoxy-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide Openeye Name: 3,5-dimethoxy-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]benzamide CAS Name: 3,5-dimethoxy-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide IUPAC Name: 3,5-dimethoxy-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3,5-dimethoxy-benzamide Formula: C18H21N3O7S MolecularWeight: 423.44024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])OC

InChI

InChI=1S/C18H21N3O7S/c1-27-13-8-12(9-14(10-13)28-2)18(22)20-7-6-19-16-5-4-15(29(3,25)26)11-17(16)21(23)24/h4-5,8-11,19H,6-7H2,1-3H3,(H,20,22)