ethyl 5-azanyl-1-(4-methoxyphenyl)sulfonyl-3-methylsulfonyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(4-methoxyphenyl)sulfonyl-3-methylsulfonyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(4-methoxyphenyl)sulfonyl-3-methylsulfonyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-(4-methoxyphenyl)sulfonyl-3-methylsulfonyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(4-methoxyphenyl)sulfonyl-3-methylsulfonylpyrazole-4-carboxylate Traditional Name: 5-amino-3-mesyl-1-(4-methoxyphenyl)sulfonyl-pyrazole-4-carboxylic acid ethyl ester Formula: C14H17N3O7S2 MolecularWeight: 403.43068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1S(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)OC)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1S(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)OC)N

InChI

InChI=1S/C14H17N3O7S2/c1-4-24-14(18)11-12(15)17(16-13(11)25(3,19)20)26(21,22)10-7-5-9(23-2)6-8-10/h5-8H,4,15H2,1-3H3