3-methoxy-4-nitro-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-methoxy-4-nitro-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-methoxy-4-nitro-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-5-carboxamide CAS Name: 3-methoxy-4-nitro-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-methoxy-4-nitro-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-methoxy-4-nitro-N-(4-sulfamoylbenzyl)-1H-pyrazole-5-carboxamide Formula: C12H13N5O6S MolecularWeight: 355.32652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NNC(=C1[N+](=O)[O-])C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

COC1=NNC(=C1[N+](=O)[O-])C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C12H13N5O6S/c1-23-12-10(17(19)20)9(15-16-12)11(18)14-6-7-2-4-8(5-3-7)24(13,21)22/h2-5H,6H2,1H3,(H,14,18)(H,15,16)(H2,13,21,22)