5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]furan-2-carboxamide

Systemtic Name: 5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]furan-2-carboxamide Openeye Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]furan-2-carboxamide CAS Name: 5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-furancarboxamide IUPAC Name: 5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]furan-2-carboxamide Traditional Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-2-furamide Formula: C22H16BrClN4O7S MolecularWeight: 595.80704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H16BrClN4O7S/c1-34-16-8-14(9-18(10-16)36(32,33)17-5-2-13(24)3-6-17)25-22(29)20-7-4-15(35-20)11-27-12-19(23)21(26-27)28(30)31/h2-10,12H,11H2,1H3,(H,25,29)