2-[3-(5-azanyl-3-methyl-pyrazol-1-yl)-4-methoxy-phenyl]sulfonylethoxy hydrogen sulfate

Systemtic Name: 2-[3-(5-azanyl-3-methyl-pyrazol-1-yl)-4-methoxy-phenyl]sulfonylethoxy hydrogen sulfate Openeye Name: 2-[3-(5-amino-3-methyl-pyrazol-1-yl)-4-methoxy-phenyl]sulfonylethoxy hydrogen sulfate CAS Name: sulfuric acid 2-[3-(5-amino-3-methyl-1-pyrazolyl)-4-methoxyphenyl]sulfonylethoxy ester IUPAC Name: 2-[3-(5-amino-3-methylpyrazol-1-yl)-4-methoxyphenyl]sulfonylethoxy hydrogen sulfate Traditional Name: sulfuric acid 2-[3-(5-amino-3-methyl-pyrazol-1-yl)-4-methoxy-phenyl]sulfonylethoxy ester Formula: C13H17N3O8S2 MolecularWeight: 407.41938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)N)C2=C(C=CC(=C2)S(=O)(=O)CCOOS(=O)(=O)O)OC

Isomeric SMILES

CC1=NN(C(=C1)N)C2=C(C=CC(=C2)S(=O)(=O)CCOOS(=O)(=O)O)OC

InChI

InChI=1S/C13H17N3O8S2/c1-9-7-13(14)16(15-9)11-8-10(3-4-12(11)22-2)25(17,18)6-5-23-24-26(19,20)21/h3-4,7-8H,5-6,14H2,1-2H3,(H,19,20,21)