5-azanyl-2-[2-[2-(2-hydroxyethylsulfonyl)ethylamino]-2-oxidanylidene-ethoxy]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[2-[2-(2-hydroxyethylsulfonyl)ethylamino]-2-oxidanylidene-ethoxy]benzenesulfonic acid Openeye Name: 5-amino-2-[2-[2-(2-hydroxyethylsulfonyl)ethylamino]-2-oxo-ethoxy]benzenesulfonic acid CAS Name: 5-amino-2-[2-[2-(2-hydroxyethylsulfonyl)ethylamino]-2-oxoethoxy]benzenesulfonic acid IUPAC Name: 5-amino-2-[2-[2-(2-hydroxyethylsulfonyl)ethylamino]-2-oxoethoxy]benzenesulfonic acid Traditional Name: 5-amino-2-[2-[2-(2-hydroxyethylsulfonyl)ethylamino]-2-keto-ethoxy]besylic acid Formula: C12H18N2O8S2 MolecularWeight: 382.40992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)O)OCC(=O)NCCS(=O)(=O)CCO

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O)OCC(=O)NCCS(=O)(=O)CCO

InChI

InChI=1S/C12H18N2O8S2/c13-9-1-2-10(11(7-9)24(19,20)21)22-8-12(16)14-3-5-23(17,18)6-4-15/h1-2,7,15H,3-6,8,13H2,(H,14,16)(H,19,20,21)