ethyl 3-bromanyl-4-[(1-phenylpyrazol-4-yl)methylsulfamoyl]benzoate

Systemtic Name: ethyl 3-bromanyl-4-[(1-phenylpyrazol-4-yl)methylsulfamoyl]benzoate Openeye Name: ethyl 3-bromo-4-[(1-phenylpyrazol-4-yl)methylsulfamoyl]benzoate CAS Name: 3-bromo-4-[(1-phenyl-4-pyrazolyl)methylsulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[(1-phenylpyrazol-4-yl)methylsulfamoyl]benzoate Traditional Name: 3-bromo-4-[(1-phenylpyrazol-4-yl)methylsulfamoyl]benzoic acid ethyl ester Formula: C19H18BrN3O4S MolecularWeight: 464.33292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)NCC2=CN(N=C2)C3=CC=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)NCC2=CN(N=C2)C3=CC=CC=C3)Br

InChI

InChI=1S/C19H18BrN3O4S/c1-2-27-19(24)15-8-9-18(17(20)10-15)28(25,26)22-12-14-11-21-23(13-14)16-6-4-3-5-7-16/h3-11,13,22H,2,12H2,1H3