2-[5-azanyl-2-[2-[4-(2-hydroxyethylsulfonyl)phenoxy]ethylamino]phenyl]sulfonylethanesulfonic acid

Systemtic Name: 2-[5-azanyl-2-[2-[4-(2-hydroxyethylsulfonyl)phenoxy]ethylamino]phenyl]sulfonylethanesulfonic acid Openeye Name: 2-[5-amino-2-[2-[4-(2-hydroxyethylsulfonyl)phenoxy]ethylamino]phenyl]sulfonylethanesulfonic acid CAS Name: 2-[5-amino-2-[2-[4-(2-hydroxyethylsulfonyl)phenoxy]ethylamino]phenyl]sulfonylethanesulfonic acid IUPAC Name: 2-[5-amino-2-[2-[4-(2-hydroxyethylsulfonyl)phenoxy]ethylamino]phenyl]sulfonylethanesulfonic acid Traditional Name: 2-[5-amino-2-[2-[4-(2-hydroxyethylsulfonyl)phenoxy]ethylamino]phenyl]sulfonylethanesulfonic acid Formula: C18H24N2O9S3 MolecularWeight: 508.58616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCNC2=C(C=C(C=C2)N)S(=O)(=O)CCS(=O)(=O)O)S(=O)(=O)CCO

Isomeric SMILES

C1=CC(=CC=C1OCCNC2=C(C=C(C=C2)N)S(=O)(=O)CCS(=O)(=O)O)S(=O)(=O)CCO

InChI

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