3-azanyl-4-oxidanyl-5-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]benzenesulfonic acid

Systemtic Name: 3-azanyl-4-oxidanyl-5-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]benzenesulfonic acid Openeye Name: 3-amino-4-hydroxy-5-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]benzenesulfonic acid CAS Name: 3-amino-4-hydroxy-5-[[oxo-[2-(2-sulfooxyethylsulfonyl)ethylamino]methyl]amino]benzenesulfonic acid IUPAC Name: 3-amino-4-hydroxy-5-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]benzenesulfonic acid Traditional Name: 3-amino-4-hydroxy-5-[2-(2-sulfoxyethylsulfonyl)ethylcarbamoylamino]besylic acid Formula: C11H17N3O11S3 MolecularWeight: 463.46118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1NC(=O)NCCS(=O)(=O)CCOS(=O)(=O)O)O)N)S(=O)(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1NC(=O)NCCS(=O)(=O)CCOS(=O)(=O)O)O)N)S(=O)(=O)O

InChI

InChI=1S/C11H17N3O11S3/c12-8-5-7(27(19,20)21)6-9(10(8)15)14-11(16)13-1-3-26(17,18)4-2-25-28(22,23)24/h5-6,15H,1-4,12H2,(H2,13,14,16)(H,19,20,21)(H,22,23,24)