5-[[4-chloranyl-3-(methylsulfonylamino)phenyl]sulfonylamino]benzene-1,3-disulfonic acid

Systemtic Name: 5-[[4-chloranyl-3-(methylsulfonylamino)phenyl]sulfonylamino]benzene-1,3-disulfonic acid Openeye Name: 5-[[4-chloro-3-(methanesulfonamido)phenyl]sulfonylamino]benzene-1,3-disulfonic acid CAS Name: 5-[[4-chloro-3-(methanesulfonamido)phenyl]sulfonylamino]benzene-1,3-disulfonic acid IUPAC Name: 5-[[4-chloro-3-(methanesulfonamido)phenyl]sulfonylamino]benzene-1,3-disulfonic acid Traditional Name: 5-[[4-chloro-3-(methanesulfonamido)phenyl]sulfonylamino]benzene-1,3-disulfonic acid Formula: C13H13ClN2O10S4 MolecularWeight: 520.96272

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)Cl

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)Cl

InChI

InChI=1S/C13H13ClN2O10S4/c1-27(17,18)16-13-7-9(2-3-12(13)14)28(19,20)15-8-4-10(29(21,22)23)6-11(5-8)30(24,25)26/h2-7,15-16H,1H3,(H,21,22,23)(H,24,25,26)