1-phenyl-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]amino]propane-1,3-disulfonic acid

Systemtic Name: 1-phenyl-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]amino]propane-1,3-disulfonic acid Openeye Name: 1-phenyl-3-[4-(2-pyridylsulfamoyl)anilino]propane-1,3-disulfonic acid CAS Name: 1-phenyl-3-[4-(2-pyridinylsulfamoyl)anilino]propane-1,3-disulfonic acid IUPAC Name: 1-phenyl-3-[4-(pyridin-2-ylsulfamoyl)anilino]propane-1,3-disulfonic acid Traditional Name: 1-phenyl-3-[4-(2-pyridylsulfamoyl)anilino]propane-1,3-disulfonic acid Formula: C20H21N3O8S3 MolecularWeight: 527.59104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H21N3O8S3/c24-32(25,23-19-8-4-5-13-21-19)17-11-9-16(10-12-17)22-20(34(29,30)31)14-18(33(26,27)28)15-6-2-1-3-7-15/h1-13,18,20,22H,14H2,(H,21,23)(H,26,27,28)(H,29,30,31)