methyl 5-bromanyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]benzoate

Systemtic Name: methyl 5-bromanyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]benzoate Openeye Name: methyl 5-bromo-2-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]benzoate CAS Name: 5-bromo-2-[(1,3,5-trimethyl-4-pyrazolyl)sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]benzoate Traditional Name: 5-bromo-2-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]benzoic acid methyl ester Formula: C14H16BrN3O4S MolecularWeight: 402.26354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NS(=O)(=O)C2=C(C=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C)C)NS(=O)(=O)C2=C(C=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C14H16BrN3O4S/c1-8-13(9(2)18(3)16-8)17-23(20,21)12-6-5-10(15)7-11(12)14(19)22-4/h5-7,17H,1-4H3