4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-methyl-5-methylsulfonyl-phenyl)benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-methyl-5-methylsulfonyl-phenyl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-methyl-5-methylsulfonyl-phenyl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(2-methyl-5-methylsulfonylphenyl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(2-methyl-5-methylsulfonylphenyl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(5-mesyl-2-methyl-phenyl)benzamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O5S/c1-13-5-10-18(31(4,29)30)11-19(13)22-21(26)17-8-6-16(7-9-17)12-24-15(3)20(25(27)28)14(2)23-24/h5-11H,12H2,1-4H3,(H,22,26)