N-(4-bromanyl-3-methyl-phenyl)-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-(N-mesyl-2-methoxy-5-nitro-anilino)acetamide Formula: C17H18BrN3O6S MolecularWeight: 472.31032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O6S/c1-11-8-12(4-6-14(11)18)19-17(22)10-20(28(3,25)26)15-9-13(21(23)24)5-7-16(15)27-2/h4-9H,10H2,1-3H3,(H,19,22)