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

Systemtic Name: (5-methyl-2-oxidanyl-phenyl)-[1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)pyrazol-4-yl]methanone Openeye Name: (2-hydroxy-5-methyl-phenyl)-[1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)pyrazol-4-yl]methanone CAS Name: (2-hydroxy-5-methylphenyl)-[1-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-4-pyrazolyl]methanone IUPAC Name: (2-hydroxy-5-methylphenyl)-[1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]methanone Traditional Name: (2-hydroxy-5-methyl-phenyl)-[1-(2-nitro-4-pyrrolidinosulfonyl-phenyl)pyrazol-4-yl]methanone Formula: C21H20N4O6S MolecularWeight: 456.4717

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O6S/c1-14-4-7-20(26)17(10-14)21(27)15-12-22-24(13-15)18-6-5-16(11-19(18)25(28)29)32(30,31)23-8-2-3-9-23/h4-7,10-13,26H,2-3,8-9H2,1H3