2-[3-methyl-5-(methylsulfonylamino)pyrazol-1-yl]-4-sulfinooxy-benzenesulfonic acid

Systemtic Name: 2-[3-methyl-5-(methylsulfonylamino)pyrazol-1-yl]-4-sulfinooxy-benzenesulfonic acid Openeye Name: 2-[5-(methanesulfonamido)-3-methyl-pyrazol-1-yl]-4-sulfinooxy-benzenesulfonic acid CAS Name: 2-[5-(methanesulfonamido)-3-methyl-1-pyrazolyl]-4-sulfinooxybenzenesulfonic acid IUPAC Name: 2-[5-(methanesulfonamido)-3-methylpyrazol-1-yl]-4-sulfinooxybenzenesulfonic acid Traditional Name: 2-[5-(methanesulfonamido)-3-methyl-pyrazol-1-yl]-4-sulfinooxy-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=C(C=CC(=C2)OS(=O)O)S(=O)(=O)O

Isomeric SMILES

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

InChI

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