5-bromanyl-3-methyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-bromanyl-3-methyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1-benzofuran-2-carboxamide Openeye Name: 5-bromo-3-methyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]benzofuran-2-carboxamide CAS Name: 5-bromo-3-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-benzofurancarboxamide IUPAC Name: 5-bromo-3-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1-benzofuran-2-carboxamide Traditional Name: 5-bromo-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-methyl-coumarilamide Formula: C19H18BrN3O6S MolecularWeight: 496.33172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H18BrN3O6S/c1-11-14-9-12(20)3-6-17(14)29-18(11)19(24)22-8-7-21-15-5-4-13(30(2,27)28)10-16(15)23(25)26/h3-6,9-10,21H,7-8H2,1-2H3,(H,22,24)