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

Systemtic Name: 3,5-bis(chloranyl)-4-[4-isocyano-5-(methylsulfonylamino)pyrazol-1-yl]benzenesulfonic acid Openeye Name: 3,5-dichloro-4-[4-isocyano-5-(methanesulfonamido)pyrazol-1-yl]benzenesulfonic acid CAS Name: 3,5-dichloro-4-[4-isocyano-5-(methanesulfonamido)-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 3,5-dichloro-4-[4-isocyano-5-(methanesulfonamido)pyrazol-1-yl]benzenesulfonic acid Traditional Name: 3,5-dichloro-4-[4-isocyano-5-(methanesulfonamido)pyrazol-1-yl]besylic acid Formula: C11H8Cl2N4O5S2 MolecularWeight: 411.24102

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=NN1C2=C(C=C(C=C2Cl)S(=O)(=O)O)Cl)[N+]#[C-]

Isomeric SMILES

CS(=O)(=O)NC1=C(C=NN1C2=C(C=C(C=C2Cl)S(=O)(=O)O)Cl)[N+]#[C-]

InChI

InChI=1S/C11H8Cl2N4O5S2/c1-14-9-5-15-17(11(9)16-23(2,18)19)10-7(12)3-6(4-8(10)13)24(20,21)22/h3-5,16H,2H3,(H,20,21,22)