3-bromanyl-4-methoxy-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide

Systemtic Name: 3-bromanyl-4-methoxy-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide Openeye Name: 3-bromo-4-methoxy-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide Traditional Name: 3-bromo-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4-methoxy-benzamide Formula: C17H18BrN3O6S MolecularWeight: 472.31032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O6S/c1-27-16-6-3-11(9-13(16)18)17(22)20-8-7-19-14-5-4-12(28(2,25)26)10-15(14)21(23)24/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)