N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-2-(3-nitropyrazol-1-yl)ethanamide

Systemtic Name: N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-2-(3-nitropyrazol-1-yl)ethanamide Openeye Name: N-(5-ethylsulfonyl-2-hydroxy-phenyl)-2-(3-nitropyrazol-1-yl)acetamide CAS Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(3-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(3-nitropyrazol-1-yl)acetamide Traditional Name: N-(5-esyl-2-hydroxy-phenyl)-2-(3-nitropyrazol-1-yl)acetamide Formula: C13H14N4O6S MolecularWeight: 354.33846

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CN2C=CC(=N2)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CN2C=CC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O6S/c1-2-24(22,23)9-3-4-11(18)10(7-9)14-13(19)8-16-6-5-12(15-16)17(20)21/h3-7,18H,2,8H2,1H3,(H,14,19)