4-azanyl-3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-1-sulfonic acid

Systemtic Name: 4-azanyl-3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-1-sulfonic acid Openeye Name: 4-amino-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]azo-naphthalene-1-sulfonic acid CAS Name: 4-amino-3-[4-(2-pyrimidinylsulfamoyl)phenyl]azo-1-naphthalenesulfonic acid IUPAC Name: 4-amino-3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-1-sulfonic acid Traditional Name: 4-amino-3-[4-(2-pyrimidylsulfamoyl)phenyl]azo-naphthalene-1-sulfonic acid Formula: C20H16N6O5S2 MolecularWeight: 484.50824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)S(=O)(=O)O

InChI

InChI=1S/C20H16N6O5S2/c21-19-16-5-2-1-4-15(16)18(33(29,30)31)12-17(19)25-24-13-6-8-14(9-7-13)32(27,28)26-20-22-10-3-11-23-20/h1-12H,21H2,(H,22,23,26)(H,29,30,31)