5-azanyl-2-[[2,5-bis(2-hydroxyethylsulfonylmethyl)phenyl]amino]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[[2,5-bis(2-hydroxyethylsulfonylmethyl)phenyl]amino]benzenesulfonic acid Openeye Name: 5-amino-2-[2,5-bis(2-hydroxyethylsulfonylmethyl)anilino]benzenesulfonic acid CAS Name: 5-amino-2-[2,5-bis(2-hydroxyethylsulfonylmethyl)anilino]benzenesulfonic acid IUPAC Name: 5-amino-2-[2,5-bis(2-hydroxyethylsulfonylmethyl)anilino]benzenesulfonic acid Traditional Name: 5-amino-2-[2,5-bis(2-hydroxyethylsulfonylmethyl)anilino]besylic acid Formula: C18H24N2O9S3 MolecularWeight: 508.58616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CS(=O)(=O)CCO)NC2=C(C=C(C=C2)N)S(=O)(=O)O)CS(=O)(=O)CCO

Isomeric SMILES

C1=CC(=C(C=C1CS(=O)(=O)CCO)NC2=C(C=C(C=C2)N)S(=O)(=O)O)CS(=O)(=O)CCO

InChI

InChI=1S/C18H24N2O9S3/c19-15-3-4-16(18(10-15)32(27,28)29)20-17-9-13(11-30(23,24)7-5-21)1-2-14(17)12-31(25,26)8-6-22/h1-4,9-10,20-22H,5-8,11-12,19H2,(H,27,28,29)