3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(5-ethylsulfonyl-2-oxidanyl-phenyl)propanamide

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(5-ethylsulfonyl-2-oxidanyl-phenyl)propanamide Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxy-phenyl)propanamide CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(5-esyl-2-hydroxy-phenyl)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)CCN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CCN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

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