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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5S/c1-13-19(25(27)28)14(2)24(23-13)12-16-3-7-17(8-4-16)20(26)22-11-15-5-9-18(10-6-15)31(21,29)30/h3-10H,11-12H2,1-2H3,(H,22,26)(H2,21,29,30)