3-[3-methyl-5-(methylsulfonylamino)pyrazol-1-yl]-5-(trioxidanylsulfanyl)benzenesulfonic acid

Systemtic Name: 3-[3-methyl-5-(methylsulfonylamino)pyrazol-1-yl]-5-(trioxidanylsulfanyl)benzenesulfonic acid Openeye Name: 3-[5-(methanesulfonamido)-3-methyl-pyrazol-1-yl]-5-(trioxidanylsulfanyl)benzenesulfonic acid CAS Name: 3-[5-(methanesulfonamido)-3-methyl-1-pyrazolyl]-5-(trioxidanylthio)benzenesulfonic acid IUPAC Name: 3-[5-(methanesulfonamido)-3-methylpyrazol-1-yl]-5-(trioxidanylsulfanyl)benzenesulfonic acid Traditional Name: 3-[5-(methanesulfonamido)-3-methyl-pyrazol-1-yl]-5-(trioxidanylthio)besylic acid Formula: C11H13N3O8S3 MolecularWeight: 411.43122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NS(=O)(=O)C)C2=CC(=CC(=C2)S(=O)(=O)O)SOOO

Isomeric SMILES

CC1=NN(C(=C1)NS(=O)(=O)C)C2=CC(=CC(=C2)S(=O)(=O)O)SOOO

InChI

InChI=1S/C11H13N3O8S3/c1-7-3-11(13-24(2,16)17)14(12-7)8-4-9(23-22-21-15)6-10(5-8)25(18,19)20/h3-6,13,15H,1-2H3,(H,18,19,20)