2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-morpholinosulfonylphenyl)acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-morpholinosulfonylphenyl)acetamide Formula: C17H21N5O6S MolecularWeight: 423.44354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O6S/c1-12-17(22(24)25)13(2)21(19-12)11-16(23)18-14-4-3-5-15(10-14)29(26,27)20-6-8-28-9-7-20/h3-5,10H,6-9,11H2,1-2H3,(H,18,23)