2-[3-methyl-5-(methylsulfonylamino)pyrazol-1-yl]benzene-1,4-disulfonic acid

Systemtic Name: 2-[3-methyl-5-(methylsulfonylamino)pyrazol-1-yl]benzene-1,4-disulfonic acid Openeye Name: 2-[5-(methanesulfonamido)-3-methyl-pyrazol-1-yl]benzene-1,4-disulfonic acid CAS Name: 2-[5-(methanesulfonamido)-3-methyl-1-pyrazolyl]benzene-1,4-disulfonic acid IUPAC Name: 2-[5-(methanesulfonamido)-3-methylpyrazol-1-yl]benzene-1,4-disulfonic acid Traditional Name: 2-[5-(methanesulfonamido)-3-methyl-pyrazol-1-yl]benzene-1,4-disulfonic 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)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

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

InChI

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