1-[2-[[4-azanyl-2-(2-hydroxyethylsulfonyl)phenyl]amino]ethyl]benzotriazole-5-sulfonic acid

Systemtic Name: 1-[2-[[4-azanyl-2-(2-hydroxyethylsulfonyl)phenyl]amino]ethyl]benzotriazole-5-sulfonic acid Openeye Name: 1-[2-[4-amino-2-(2-hydroxyethylsulfonyl)anilino]ethyl]benzotriazole-5-sulfonic acid CAS Name: 1-[2-[4-amino-2-(2-hydroxyethylsulfonyl)anilino]ethyl]-5-benzotriazolesulfonic acid IUPAC Name: 1-[2-[4-amino-2-(2-hydroxyethylsulfonyl)anilino]ethyl]benzotriazole-5-sulfonic acid Traditional Name: 1-[2-[4-amino-2-(2-hydroxyethylsulfonyl)anilino]ethyl]benzotriazole-5-sulfonic acid Formula: C16H19N5O6S2 MolecularWeight: 441.48196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)CCO)NCCN2C3=C(C=C(C=C3)S(=O)(=O)O)N=N2

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)CCO)NCCN2C3=C(C=C(C=C3)S(=O)(=O)O)N=N2

InChI

InChI=1S/C16H19N5O6S2/c17-11-1-3-13(16(9-11)28(23,24)8-7-22)18-5-6-21-15-4-2-12(29(25,26)27)10-14(15)19-20-21/h1-4,9-10,18,22H,5-8,17H2,(H,25,26,27)