7-bromanyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 7-bromanyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1-benzofuran-2-carboxamide Openeye Name: 7-bromo-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]benzofuran-2-carboxamide CAS Name: 7-bromo-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-benzofurancarboxamide IUPAC Name: 7-bromo-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1-benzofuran-2-carboxamide Traditional Name: 7-bromo-N-[2-(4-mesyl-2-nitro-anilino)ethyl]coumarilamide Formula: C18H16BrN3O6S MolecularWeight: 482.30514

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC3=C(O2)C(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC3=C(O2)C(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H16BrN3O6S/c1-29(26,27)12-5-6-14(15(10-12)22(24)25)20-7-8-21-18(23)16-9-11-3-2-4-13(19)17(11)28-16/h2-6,9-10,20H,7-8H2,1H3,(H,21,23)