2-[5-(methylsulfonylamino)-3-phenyl-pyrazol-1-yl]-4-(trioxidanylsulfanyl)benzenesulfonic acid

Systemtic Name: 2-[5-(methylsulfonylamino)-3-phenyl-pyrazol-1-yl]-4-(trioxidanylsulfanyl)benzenesulfonic acid Openeye Name: 2-[5-(methanesulfonamido)-3-phenyl-pyrazol-1-yl]-4-(trioxidanylsulfanyl)benzenesulfonic acid CAS Name: 2-[5-(methanesulfonamido)-3-phenyl-1-pyrazolyl]-4-(trioxidanylthio)benzenesulfonic acid IUPAC Name: 2-[5-(methanesulfonamido)-3-phenylpyrazol-1-yl]-4-(trioxidanylsulfanyl)benzenesulfonic acid Traditional Name: 2-[5-(methanesulfonamido)-3-phenyl-pyrazol-1-yl]-4-(trioxidanylthio)besylic acid Formula: C16H15N3O8S3 MolecularWeight: 473.5006

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC(=NN1C2=C(C=CC(=C2)SOOO)S(=O)(=O)O)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)NC1=CC(=NN1C2=C(C=CC(=C2)SOOO)S(=O)(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C16H15N3O8S3/c1-29(21,22)18-16-10-13(11-5-3-2-4-6-11)17-19(16)14-9-12(28-27-26-20)7-8-15(14)30(23,24)25/h2-10,18,20H,1H3,(H,23,24,25)