(5-fluoranyl-2-oxidanyl-phenyl)-[1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)pyrazol-4-yl]methanone

Systemtic Name: (5-fluoranyl-2-oxidanyl-phenyl)-[1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)pyrazol-4-yl]methanone Openeye Name: (5-fluoro-2-hydroxy-phenyl)-[1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)pyrazol-4-yl]methanone CAS Name: (5-fluoro-2-hydroxyphenyl)-[1-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-4-pyrazolyl]methanone IUPAC Name: (5-fluoro-2-hydroxyphenyl)-[1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]methanone Traditional Name: (5-fluoro-2-hydroxy-phenyl)-[1-(2-nitro-4-pyrrolidinosulfonyl-phenyl)pyrazol-4-yl]methanone Formula: C20H17FN4O6S MolecularWeight: 460.435583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3C=C(C=N3)C(=O)C4=C(C=CC(=C4)F)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3C=C(C=N3)C(=O)C4=C(C=CC(=C4)F)O)[N+](=O)[O-]

InChI

InChI=1S/C20H17FN4O6S/c21-14-3-6-19(26)16(9-14)20(27)13-11-22-24(12-13)17-5-4-15(10-18(17)25(28)29)32(30,31)23-7-1-2-8-23/h3-6,9-12,26H,1-2,7-8H2