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

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-2-methyl-propanamide Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxy-phenyl)-2-methyl-propanamide CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpropanamide IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpropanamide Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(5-esyl-2-hydroxy-phenyl)-2-methyl-propionamide Formula: C17H22N4O6S MolecularWeight: 410.44478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O6S/c1-5-28(26,27)13-6-7-15(22)14(8-13)18-17(23)10(2)9-20-12(4)16(21(24)25)11(3)19-20/h6-8,10,22H,5,9H2,1-4H3,(H,18,23)