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

Systemtic Name: N-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-(4-chloro-3-morpholinosulfonyl-phenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-(4-chloro-3-morpholinosulfonyl-phenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C17H20ClN5O6S MolecularWeight: 457.8886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN5O6S/c1-11-17(23(25)26)12(2)22(20-11)10-16(24)19-13-3-4-14(18)15(9-13)30(27,28)21-5-7-29-8-6-21/h3-4,9H,5-8,10H2,1-2H3,(H,19,24)