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

Systemtic Name: N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-(5-ethylsulfonyl-2-hydroxy-phenyl)-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(3-methoxy-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide Traditional Name: N-(5-esyl-2-hydroxy-phenyl)-2-(3-methoxy-4-nitro-pyrazol-1-yl)propionamide Formula: C15H18N4O7S MolecularWeight: 398.39102

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C(C)N2C=C(C(=N2)OC)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C(C)N2C=C(C(=N2)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O7S/c1-4-27(24,25)10-5-6-13(20)11(7-10)16-14(21)9(2)18-8-12(19(22)23)15(17-18)26-3/h5-9,20H,4H2,1-3H3,(H,16,21)