ethyl 5-azanyl-1-(3-chloranyl-2-methyl-phenyl)sulfonyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(3-chloranyl-2-methyl-phenyl)sulfonyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(3-chloro-2-methyl-phenyl)sulfonyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-(3-chloro-2-methylphenyl)sulfonyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(3-chloro-2-methylphenyl)sulfonylpyrazole-4-carboxylate Traditional Name: 5-amino-1-(3-chloro-2-methyl-phenyl)sulfonyl-pyrazole-4-carboxylic acid ethyl ester Formula: C13H14ClN3O4S MolecularWeight: 343.78596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)S(=O)(=O)C2=C(C(=CC=C2)Cl)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)S(=O)(=O)C2=C(C(=CC=C2)Cl)C)N

InChI

InChI=1S/C13H14ClN3O4S/c1-3-21-13(18)9-7-16-17(12(9)15)22(19,20)11-6-4-5-10(14)8(11)2/h4-7H,3,15H2,1-2H3