N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-2-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-(5-ethylsulfonyl-2-hydroxy-phenyl)-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-(5-esyl-2-hydroxy-phenyl)-2-(4-nitropyrazol-1-yl)butyramide Formula: C15H18N4O6S MolecularWeight: 382.39162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)CC)O)N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)CC)O)N2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O6S/c1-3-13(18-9-10(8-16-18)19(22)23)15(21)17-12-7-11(5-6-14(12)20)26(24,25)4-2/h5-9,13,20H,3-4H2,1-2H3,(H,17,21)