4-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-(4-sulfamoylphenyl)benzamide

Systemtic Name: 4-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-(4-sulfamoylphenyl)benzamide Openeye Name: 4-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-(4-sulfamoylphenyl)benzamide CAS Name: 4-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-(4-sulfamoylphenyl)benzamide IUPAC Name: 4-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(4-sulfamoylphenyl)benzamide Traditional Name: 4-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-(4-sulfamoylphenyl)benzamide Formula: C17H14BrN5O5S MolecularWeight: 480.29256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C(=N2)[N+](=O)[O-])Br)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C(=N2)[N+](=O)[O-])Br)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H14BrN5O5S/c18-15-10-22(21-16(15)23(25)26)9-11-1-3-12(4-2-11)17(24)20-13-5-7-14(8-6-13)29(19,27)28/h1-8,10H,9H2,(H,20,24)(H2,19,27,28)