2-azanyl-4-[5-(2-hydroxyethylsulfonyl)benzotriazol-1-yl]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[5-(2-hydroxyethylsulfonyl)benzotriazol-1-yl]benzenesulfonic acid Openeye Name: 2-amino-4-[5-(2-hydroxyethylsulfonyl)benzotriazol-1-yl]benzenesulfonic acid CAS Name: 2-amino-4-[5-(2-hydroxyethylsulfonyl)-1-benzotriazolyl]benzenesulfonic acid IUPAC Name: 2-amino-4-[5-(2-hydroxyethylsulfonyl)benzotriazol-1-yl]benzenesulfonic acid Traditional Name: 2-amino-4-[5-(2-hydroxyethylsulfonyl)benzotriazol-1-yl]besylic acid Formula: C14H14N4O6S2 MolecularWeight: 398.41416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C3=C(C=C(C=C3)S(=O)(=O)CCO)N=N2)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N2C3=C(C=C(C=C3)S(=O)(=O)CCO)N=N2)N)S(=O)(=O)O

InChI

InChI=1S/C14H14N4O6S2/c15-11-7-9(1-4-14(11)26(22,23)24)18-13-3-2-10(8-12(13)16-17-18)25(20,21)6-5-19/h1-4,7-8,19H,5-6,15H2,(H,22,23,24)