2-azanyl-4-[[4-(2-hydroxyethylsulfonyl)phenyl]sulfonylamino]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[[4-(2-hydroxyethylsulfonyl)phenyl]sulfonylamino]benzenesulfonic acid Openeye Name: 2-amino-4-[[4-(2-hydroxyethylsulfonyl)phenyl]sulfonylamino]benzenesulfonic acid CAS Name: 2-amino-4-[[4-(2-hydroxyethylsulfonyl)phenyl]sulfonylamino]benzenesulfonic acid IUPAC Name: 2-amino-4-[[4-(2-hydroxyethylsulfonyl)phenyl]sulfonylamino]benzenesulfonic acid Traditional Name: 2-amino-4-[[4-(2-hydroxyethylsulfonyl)phenyl]sulfonylamino]besylic acid Formula: C14H16N2O8S3 MolecularWeight: 436.48044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)CCO)S(=O)(=O)NC2=CC(=C(C=C2)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)CCO)S(=O)(=O)NC2=CC(=C(C=C2)S(=O)(=O)O)N

InChI

InChI=1S/C14H16N2O8S3/c15-13-9-10(1-6-14(13)27(22,23)24)16-26(20,21)12-4-2-11(3-5-12)25(18,19)8-7-17/h1-6,9,16-17H,7-8,15H2,(H,22,23,24)