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

Systemtic Name: 2,5-bis(chloranyl)-4-[3-methyl-5-(methylsulfonylamino)pyrazol-1-yl]benzenesulfonic acid Openeye Name: 2,5-dichloro-4-[5-(methanesulfonamido)-3-methyl-pyrazol-1-yl]benzenesulfonic acid CAS Name: 2,5-dichloro-4-[5-(methanesulfonamido)-3-methyl-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 2,5-dichloro-4-[5-(methanesulfonamido)-3-methylpyrazol-1-yl]benzenesulfonic acid Traditional Name: 2,5-dichloro-4-[5-(methanesulfonamido)-3-methyl-pyrazol-1-yl]besylic acid Formula: C11H11Cl2N3O5S2 MolecularWeight: 400.25814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NS(=O)(=O)C)C2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl

Isomeric SMILES

CC1=NN(C(=C1)NS(=O)(=O)C)C2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl

InChI

InChI=1S/C11H11Cl2N3O5S2/c1-6-3-11(15-22(2,17)18)16(14-6)9-4-8(13)10(5-7(9)12)23(19,20)21/h3-5,15H,1-2H3,(H,19,20,21)