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

Systemtic Name: 4-bromanyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-(4-morpholinosulfonylphenyl)-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[4-(4-morpholinylsulfonyl)phenyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-(4-morpholinosulfonylphenyl)-3-nitro-1H-pyrazole-5-carboxamide Formula: C14H14BrN5O6S MolecularWeight: 460.25986

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

InChI

InChI=1S/C14H14BrN5O6S/c15-11-12(17-18-13(11)20(22)23)14(21)16-9-1-3-10(4-2-9)27(24,25)19-5-7-26-8-6-19/h1-4H,5-8H2,(H,16,21)(H,17,18)