2-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]ethanoic acid

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]ethanoic acid Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]acetic acid CAS Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]acetic acid IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]acetic acid Traditional Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]acetic acid Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3CC(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3CC(=O)O

InChI

InChI=1S/C17H17NO4S/c19-17(20)11-14-6-3-4-8-16(14)23(21,22)18-10-9-13-5-1-2-7-15(13)12-18/h1-8H,9-12H2,(H,19,20)