3-[3-methyl-5-(methylsulfamoyl)pyrazol-1-yl]-4-sulfino-benzenesulfonic acid

Systemtic Name: 3-[3-methyl-5-(methylsulfamoyl)pyrazol-1-yl]-4-sulfino-benzenesulfonic acid Openeye Name: 3-[3-methyl-5-(methylsulfamoyl)pyrazol-1-yl]-4-sulfino-benzenesulfonic acid CAS Name: 3-[3-methyl-5-(methylsulfamoyl)-1-pyrazolyl]-4-sulfinobenzenesulfonic acid IUPAC Name: 3-[3-methyl-5-(methylsulfamoyl)pyrazol-1-yl]-4-sulfinobenzenesulfonic acid Traditional Name: 3-[3-methyl-5-(methylsulfamoyl)pyrazol-1-yl]-4-sulfino-besylic acid Formula: C11H13N3O7S3 MolecularWeight: 395.43182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)S(=O)(=O)NC)C2=C(C=CC(=C2)S(=O)(=O)O)S(=O)O

Isomeric SMILES

CC1=NN(C(=C1)S(=O)(=O)NC)C2=C(C=CC(=C2)S(=O)(=O)O)S(=O)O

InChI

InChI=1S/C11H13N3O7S3/c1-7-5-11(23(17,18)12-2)14(13-7)9-6-8(24(19,20)21)3-4-10(9)22(15)16/h3-6,12H,1-2H3,(H,15,16)(H,19,20,21)