3-[5-azanyl-2-[2-[4-(2-hydroxyethylsulfonyl)phenyl]ethylamino]phenyl]sulfonylpropanoic acid

Systemtic Name: 3-[5-azanyl-2-[2-[4-(2-hydroxyethylsulfonyl)phenyl]ethylamino]phenyl]sulfonylpropanoic acid Openeye Name: 3-[5-amino-2-[2-[4-(2-hydroxyethylsulfonyl)phenyl]ethylamino]phenyl]sulfonylpropanoic acid CAS Name: 3-[5-amino-2-[2-[4-(2-hydroxyethylsulfonyl)phenyl]ethylamino]phenyl]sulfonylpropanoic acid IUPAC Name: 3-[5-amino-2-[2-[4-(2-hydroxyethylsulfonyl)phenyl]ethylamino]phenyl]sulfonylpropanoic acid Traditional Name: 3-[5-amino-2-[2-[4-(2-hydroxyethylsulfonyl)phenyl]ethylamino]phenyl]sulfonylpropionic acid Formula: C19H24N2O7S2 MolecularWeight: 456.53306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O7S2/c20-15-3-6-17(18(13-15)30(27,28)11-8-19(23)24)21-9-7-14-1-4-16(5-2-14)29(25,26)12-10-22/h1-6,13,21-22H,7-12,20H2,(H,23,24)