2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]ethanoic acid

Systemtic Name: 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]ethanoic acid Openeye Name: 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]acetic acid CAS Name: 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]acetic acid IUPAC Name: 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]acetic acid Traditional Name: 2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]acetic acid Formula: C17H16FNO4S MolecularWeight: 349.376643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=CC=C2)CC(=O)O)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC2=C1C(=CC=C2)CC(=O)O)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H16FNO4S/c18-14-4-6-15(7-5-14)24(22,23)19-9-8-16-12(10-17(20)21)2-1-3-13(16)11-19/h1-7H,8-11H2,(H,20,21)