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

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[4-(methylsulfamoyl)phenyl]benzamide Openeye Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[4-(methylsulfamoyl)phenyl]benzamide CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[4-(methylsulfamoyl)phenyl]benzamide IUPAC Name: 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[4-(methylsulfamoyl)phenyl]benzamide Traditional Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[4-(methylsulfamoyl)phenyl]benzamide Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5S/c1-13-19(25(27)28)14(2)24(23-13)12-15-6-4-5-7-18(15)20(26)22-16-8-10-17(11-9-16)31(29,30)21-3/h4-11,21H,12H2,1-3H3,(H,22,26)