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

Systemtic Name: 2-[(3-bromophenyl)-(phenylsulfonyl)amino]-N-(2-methoxy-5-nitro-phenyl)ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-bromo-anilino]-N-(2-methoxy-5-nitro-phenyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(2-methoxy-5-nitrophenyl)acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(2-methoxy-5-nitrophenyl)acetamide Traditional Name: 2-(N-besyl-3-bromo-anilino)-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C21H18BrN3O6S MolecularWeight: 520.35312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18BrN3O6S/c1-31-20-11-10-17(25(27)28)13-19(20)23-21(26)14-24(16-7-5-6-15(22)12-16)32(29,30)18-8-3-2-4-9-18/h2-13H,14H2,1H3,(H,23,26)