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

Systemtic Name: 2-[5-azanyl-2-[2-[4-(2-hydroxyethylsulfonyl)phenyl]ethylamino]phenyl]sulfonylethanesulfonic acid Openeye Name: 2-[5-amino-2-[2-[4-(2-hydroxyethylsulfonyl)phenyl]ethylamino]phenyl]sulfonylethanesulfonic acid CAS Name: 2-[5-amino-2-[2-[4-(2-hydroxyethylsulfonyl)phenyl]ethylamino]phenyl]sulfonylethanesulfonic acid IUPAC Name: 2-[5-amino-2-[2-[4-(2-hydroxyethylsulfonyl)phenyl]ethylamino]phenyl]sulfonylethanesulfonic acid Traditional Name: 2-[5-amino-2-[2-[4-(2-hydroxyethylsulfonyl)phenyl]ethylamino]phenyl]sulfonylethanesulfonic acid Formula: C18H24N2O8S3 MolecularWeight: 492.58676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC2=C(C=C(C=C2)N)S(=O)(=O)CCS(=O)(=O)O)S(=O)(=O)CCO

Isomeric SMILES

C1=CC(=CC=C1CCNC2=C(C=C(C=C2)N)S(=O)(=O)CCS(=O)(=O)O)S(=O)(=O)CCO

InChI

InChI=1S/C18H24N2O8S3/c19-15-3-6-17(18(13-15)30(24,25)11-12-31(26,27)28)20-8-7-14-1-4-16(5-2-14)29(22,23)10-9-21/h1-6,13,20-21H,7-12,19H2,(H,26,27,28)