4-[3-azanyl-4-bromanyl-2-(methylsulfonylmethyl)phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one

Systemtic Name: 4-[3-azanyl-4-bromanyl-2-(methylsulfonylmethyl)phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[3-amino-4-bromo-2-(methylsulfonylmethyl)benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[3-amino-4-bromo-2-(methylsulfonylmethyl)phenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[3-amino-4-bromo-2-(methylsulfonylmethyl)benzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[3-amino-4-bromo-2-(mesylmethyl)benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C14H16BrN3O4S MolecularWeight: 402.26354

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)Br)N)CS(=O)(=O)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)Br)N)CS(=O)(=O)C

InChI

InChI=1S/C14H16BrN3O4S/c1-3-18-14(20)9(6-17-18)13(19)8-4-5-11(15)12(16)10(8)7-23(2,21)22/h4-6,17H,3,7,16H2,1-2H3