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

Systemtic Name: N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: N-(5-ethylsulfonyl-2-hydroxy-phenyl)-3-(3-nitropyrazol-1-yl)propanamide CAS Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-(5-esyl-2-hydroxy-phenyl)-3-(3-nitropyrazol-1-yl)propionamide Formula: C14H16N4O6S MolecularWeight: 368.36504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O6S/c1-2-25(23,24)10-3-4-12(19)11(9-10)15-14(20)6-8-17-7-5-13(16-17)18(21)22/h3-5,7,9,19H,2,6,8H2,1H3,(H,15,20)