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

Systemtic Name: 4-azanyl-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-1-sulfonic acid Openeye Name: 4-amino-3-[4-(2-pyridylsulfamoyl)phenyl]azo-naphthalene-1-sulfonic acid CAS Name: 4-amino-3-[4-(2-pyridinylsulfamoyl)phenyl]azo-1-naphthalenesulfonic acid IUPAC Name: 4-amino-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-1-sulfonic acid Traditional Name: 4-amino-3-[4-(2-pyridylsulfamoyl)phenyl]azo-naphthalene-1-sulfonic acid Formula: C21H17N5O5S2 MolecularWeight: 483.52018

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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=CC=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=CC=CC=N4)S(=O)(=O)O

InChI

InChI=1S/C21H17N5O5S2/c22-21-17-6-2-1-5-16(17)19(33(29,30)31)13-18(21)25-24-14-8-10-15(11-9-14)32(27,28)26-20-7-3-4-12-23-20/h1-13H,22H2,(H,23,26)(H,29,30,31)