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

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-(methylsulfamoylmethyl)benzyl]acetamide Formula: C16H21N5O5S MolecularWeight: 395.43344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NCC2=CC=C(C=C2)CS(=O)(=O)NC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NCC2=CC=C(C=C2)CS(=O)(=O)NC)C)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O5S/c1-11-16(21(23)24)12(2)20(19-11)9-15(22)18-8-13-4-6-14(7-5-13)10-27(25,26)17-3/h4-7,17H,8-10H2,1-3H3,(H,18,22)