2-[2-(phenylsulfonyl)-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[2-(phenylsulfonyl)-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-(benzenesulfonyl)-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-(benzenesulfonyl)-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-(benzenesulfonyl)-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-(2-besyl-1H-isoquinolin-1-yl)acetic acid Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=CC=CC=C3C2CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=CC=CC=C3C2CC(=O)O

InChI

InChI=1S/C17H15NO4S/c19-17(20)12-16-15-9-5-4-6-13(15)10-11-18(16)23(21,22)14-7-2-1-3-8-14/h1-11,16H,12H2,(H,19,20)