4-[2-chloranyl-4-methylsulfonyl-3-(2-oxidanylbutylamino)phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one

Systemtic Name: 4-[2-chloranyl-4-methylsulfonyl-3-(2-oxidanylbutylamino)phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-3-(2-hydroxybutylamino)-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-3-(2-hydroxybutylamino)-4-methylsulfonylphenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-3-(2-hydroxybutylamino)-4-methylsulfonylbenzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-3-(2-hydroxybutylamino)-4-mesyl-benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C17H22ClN3O5S MolecularWeight: 415.89168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=C(C=CC(=C1Cl)C(=O)C2=CNN(C2=O)CC)S(=O)(=O)C)O

Isomeric SMILES

CCC(CNC1=C(C=CC(=C1Cl)C(=O)C2=CNN(C2=O)CC)S(=O)(=O)C)O

InChI

InChI=1S/C17H22ClN3O5S/c1-4-10(22)8-19-15-13(27(3,25)26)7-6-11(14(15)18)16(23)12-9-20-21(5-2)17(12)24/h6-7,9-10,19-20,22H,4-5,8H2,1-3H3