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

Systemtic Name: 4-[5-(methylsulfonylamino)-3-phenyl-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[5-(methanesulfonamido)-3-phenyl-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[5-(methanesulfonamido)-3-phenyl-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[5-(methanesulfonamido)-3-phenylpyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[5-(methanesulfonamido)-3-phenyl-pyrazol-1-yl]besylic acid Formula: C16H15N3O5S2 MolecularWeight: 393.4374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O5S2/c1-25(20,21)18-16-11-15(12-5-3-2-4-6-12)17-19(16)13-7-9-14(10-8-13)26(22,23)24/h2-11,18H,1H3,(H,22,23,24)