2-[5-azanyl-2-[2-(2-hydroxyethylsulfonyl)ethylamino]phenyl]sulfonylethanesulfonic acid

Systemtic Name: 2-[5-azanyl-2-[2-(2-hydroxyethylsulfonyl)ethylamino]phenyl]sulfonylethanesulfonic acid Openeye Name: 2-[5-amino-2-[2-(2-hydroxyethylsulfonyl)ethylamino]phenyl]sulfonylethanesulfonic acid CAS Name: 2-[5-amino-2-[2-(2-hydroxyethylsulfonyl)ethylamino]phenyl]sulfonylethanesulfonic acid IUPAC Name: 2-[5-amino-2-[2-(2-hydroxyethylsulfonyl)ethylamino]phenyl]sulfonylethanesulfonic acid Traditional Name: 2-[5-amino-2-[2-(2-hydroxyethylsulfonyl)ethylamino]phenyl]sulfonylethanesulfonic acid Formula: C12H20N2O8S3 MolecularWeight: 416.4908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2O8S3/c13-10-1-2-11(14-3-5-23(16,17)6-4-15)12(9-10)24(18,19)7-8-25(20,21)22/h1-2,9,14-15H,3-8,13H2,(H,20,21,22)