4-[3-methyl-5-[methylsulfanyloxy(oxidanyl)amino]pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[3-methyl-5-[methylsulfanyloxy(oxidanyl)amino]pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[5-[hydroxy(methylsulfanyloxy)amino]-3-methyl-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[5-[hydroxy-(methylthio)oxyamino]-3-methyl-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[5-[hydroxy(methylsulfanyloxy)amino]-3-methylpyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[5-[hydroxy-(methylthio)oxy-amino]-3-methyl-pyrazol-1-yl]besylic acid Formula: C11H13N3O5S2 MolecularWeight: 331.36802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O5S2/c1-8-7-11(14(15)19-20-2)13(12-8)9-3-5-10(6-4-9)21(16,17)18/h3-7,15H,1-2H3,(H,16,17,18)