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

Systemtic Name: dipotassium 2-[3-methyl-5-(methylsulfonylamino)pyrazol-1-yl]benzene-1,4-disulfonate Openeye Name: dipotassium 2-[5-(methanesulfonamido)-3-methyl-pyrazol-1-yl]benzene-1,4-disulfonate CAS Name: dipotassium 2-[5-(methanesulfonamido)-3-methyl-1-pyrazolyl]benzene-1,4-disulfonate IUPAC Name: dipotassium 2-[5-(methanesulfonamido)-3-methylpyrazol-1-yl]benzene-1,4-disulfonate Traditional Name: dipotassium 2-[5-(methanesulfonamido)-3-methyl-pyrazol-1-yl]benzene-1,4-disulfonate Formula: C11H11K2N3O8S3 MolecularWeight: 487.61194

Click to see the large picture

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-].[K+].[K+]

Isomeric SMILES

CC1=NN(C(=C1)NS(=O)(=O)C)C2=C(C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+]

InChI

InChI=1S/C11H13N3O8S3.2K/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);;/q;2*+1/p-2