2-[[4-oxidanyl-1-(phenylsulfinyl)isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-oxidanyl-1-(phenylsulfinyl)isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-(benzenesulfinyl)-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[1-(benzenesulfinyl)-4-hydroxy-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-(benzenesulfinyl)-4-hydroxyisoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[1-(benzenesulfinyl)-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid Formula: C18H14N2O5S MolecularWeight: 370.37916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)C2=NC(=C(C3=CC=CC=C32)O)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)C2=NC(=C(C3=CC=CC=C32)O)C(=O)NCC(=O)O

InChI

InChI=1S/C18H14N2O5S/c21-14(22)10-19-17(24)15-16(23)12-8-4-5-9-13(12)18(20-15)26(25)11-6-2-1-3-7-11/h1-9,23H,10H2,(H,19,24)(H,21,22)