N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanamide Openeye Name: N-(5-ethylsulfonyl-2-hydroxy-phenyl)-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanamide CAS Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-(5-methyl-3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide Traditional Name: N-(5-esyl-2-hydroxy-phenyl)-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propionamide Formula: C16H20N4O6S MolecularWeight: 396.4182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O6S/c1-4-27(25,26)12-5-6-14(21)13(8-12)17-16(22)10(2)9-19-11(3)7-15(18-19)20(23)24/h5-8,10,21H,4,9H2,1-3H3,(H,17,22)