3-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 3-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: 3-methoxy-N-(4-morpholinosulfonylphenyl)-4-nitro-1H-pyrazole-5-carboxamide CAS Name: 3-methoxy-N-[4-(4-morpholinylsulfonyl)phenyl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 3-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: 3-methoxy-N-(4-morpholinosulfonylphenyl)-4-nitro-1H-pyrazole-5-carboxamide Formula: C15H17N5O7S MolecularWeight: 411.38978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C15H17N5O7S/c1-26-15-13(20(22)23)12(17-18-15)14(21)16-10-2-4-11(5-3-10)28(24,25)19-6-8-27-9-7-19/h2-5H,6-9H2,1H3,(H,16,21)(H,17,18)