2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(5-ethylsulfonyl-2-oxidanyl-phenyl)butanamide

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(5-ethylsulfonyl-2-oxidanyl-phenyl)butanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxy-phenyl)butanamide CAS Name: 2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)butanamide IUPAC Name: 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)butanamide Traditional Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(5-esyl-2-hydroxy-phenyl)butyramide Formula: C17H22ClN3O4S MolecularWeight: 399.89228

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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)C)Cl)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)CC)O)N2C(=C(C(=N2)C)Cl)C

InChI

InChI=1S/C17H22ClN3O4S/c1-5-14(21-11(4)16(18)10(3)20-21)17(23)19-13-9-12(7-8-15(13)22)26(24,25)6-2/h7-9,14,22H,5-6H2,1-4H3,(H,19,23)