2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(4-morpholinosulfonylphenyl)acetamide CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(4-morpholinosulfonylphenyl)acetamide Formula: C16H18BrN5O6S MolecularWeight: 488.31302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H18BrN5O6S/c1-11-15(17)16(22(24)25)19-21(11)10-14(23)18-12-2-4-13(5-3-12)29(26,27)20-6-8-28-9-7-20/h2-5H,6-10H2,1H3,(H,18,23)