(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 5-sulfamoylthiophene-3-carboxylate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 5-sulfamoylthiophene-3-carboxylate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 5-sulfamoylthiophene-3-carboxylate CAS Name: 5-sulfamoyl-3-thiophenecarboxylic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 5-sulfamoylthiophene-3-carboxylate Traditional Name: 5-sulfamoylthiophene-3-carboxylic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C16H14ClN3O4S2 MolecularWeight: 411.88306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)C2=CSC(=C2)S(=O)(=O)N)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1COC(=O)C2=CSC(=C2)S(=O)(=O)N)Cl)C3=CC=CC=C3

InChI

InChI=1S/C16H14ClN3O4S2/c1-10-13(15(17)20(19-10)12-5-3-2-4-6-12)8-24-16(21)11-7-14(25-9-11)26(18,22)23/h2-7,9H,8H2,1H3,(H2,18,22,23)