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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O6S/c1-4-13(19-10(3)8-15(18-19)20(23)24)16(22)17-12-9-11(6-7-14(12)21)27(25,26)5-2/h6-9,13,21H,4-5H2,1-3H3,(H,17,22)