N-(3-bromophenyl)-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-(3-bromophenyl)-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-(3-bromophenyl)-2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-(3-bromophenyl)-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-(3-bromophenyl)-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-(3-bromophenyl)-2-(N-mesyl-2-methoxy-5-nitro-anilino)acetamide Formula: C16H16BrN3O6S MolecularWeight: 458.28374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC(=CC=C2)Br)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC(=CC=C2)Br)S(=O)(=O)C

InChI

InChI=1S/C16H16BrN3O6S/c1-26-15-7-6-13(20(22)23)9-14(15)19(27(2,24)25)10-16(21)18-12-5-3-4-11(17)8-12/h3-9H,10H2,1-2H3,(H,18,21)