2-[[4-oxidanyl-7-[4-(phenylsulfonylamino)phenoxy]isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-oxidanyl-7-[4-(phenylsulfonylamino)phenoxy]isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[7-[4-(benzenesulfonamido)phenoxy]-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[7-[4-(benzenesulfonamido)phenoxy]-4-hydroxy-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[7-[4-(benzenesulfonamido)phenoxy]-4-hydroxyisoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[7-[4-(benzenesulfonamido)phenoxy]-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid Formula: C24H19N3O7S MolecularWeight: 493.48856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC3=CC4=CN=C(C(=C4C=C3)O)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC3=CC4=CN=C(C(=C4C=C3)O)C(=O)NCC(=O)O

InChI

InChI=1S/C24H19N3O7S/c28-21(29)14-26-24(31)22-23(30)20-11-10-18(12-15(20)13-25-22)34-17-8-6-16(7-9-17)27-35(32,33)19-4-2-1-3-5-19/h1-13,27,30H,14H2,(H,26,31)(H,28,29)