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

Systemtic Name: N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-(5-ethylsulfonyl-2-hydroxy-phenyl)-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxy-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide Traditional Name: N-(5-esyl-2-hydroxy-phenyl)-3-(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)CCN2C=C(C(=N2)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O7S/c1-3-27(24,25)10-4-5-13(20)11(8-10)16-14(21)6-7-18-9-12(19(22)23)15(17-18)26-2/h4-5,8-9,20H,3,6-7H2,1-2H3,(H,16,21)