2-azanyl-4-[[5-(2-hydroxyethyl)cyclohexa-1,5-dien-1-yl]sulfonylamino]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[[5-(2-hydroxyethyl)cyclohexa-1,5-dien-1-yl]sulfonylamino]benzenesulfonic acid Openeye Name: 2-amino-4-[[5-(2-hydroxyethyl)cyclohexa-1,5-dien-1-yl]sulfonylamino]benzenesulfonic acid CAS Name: 2-amino-4-[[5-(2-hydroxyethyl)-1-cyclohexa-1,5-dienyl]sulfonylamino]benzenesulfonic acid IUPAC Name: 2-amino-4-[[5-(2-hydroxyethyl)cyclohexa-1,5-dien-1-yl]sulfonylamino]benzenesulfonic acid Traditional Name: 2-amino-4-[[5-(2-hydroxyethyl)cyclohexa-1,5-dien-1-yl]sulfonylamino]besylic acid Formula: C14H18N2O6S2 MolecularWeight: 374.43252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)S(=O)(=O)O)N)CCO

Isomeric SMILES

C1CC(=CC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)S(=O)(=O)O)N)CCO

InChI

InChI=1S/C14H18N2O6S2/c15-13-9-11(4-5-14(13)24(20,21)22)16-23(18,19)12-3-1-2-10(8-12)6-7-17/h3-5,8-9,16-17H,1-2,6-7,15H2,(H,20,21,22)