3-phenoxysulfonyl-1-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino]propane-1-sulfonic acid

Systemtic Name: 3-phenoxysulfonyl-1-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino]propane-1-sulfonic acid Openeye Name: 3-phenoxysulfonyl-1-[4-(pyrimidin-2-ylsulfamoyl)anilino]propane-1-sulfonic acid CAS Name: 3-phenoxysulfonyl-1-[4-(2-pyrimidinylsulfamoyl)anilino]-1-propanesulfonic acid IUPAC Name: 3-phenoxysulfonyl-1-[4-(pyrimidin-2-ylsulfamoyl)anilino]propane-1-sulfonic acid Traditional Name: 3-phenoxysulfonyl-1-[4-(2-pyrimidylsulfamoyl)anilino]propane-1-sulfonic acid Formula: C19H20N4O8S3 MolecularWeight: 528.5791

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O8S3/c24-32(25,31-16-5-2-1-3-6-16)14-11-18(34(28,29)30)22-15-7-9-17(10-8-15)33(26,27)23-19-20-12-4-13-21-19/h1-10,12-13,18,22H,11,14H2,(H,20,21,23)(H,28,29,30)