2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylmethyl)benzoic acid

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylmethyl)benzoic acid Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylmethyl)benzoic acid CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylmethyl)benzoic acid IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylmethyl)benzoic acid Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylmethyl)benzoic acid Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)CC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)CC3=CC=CC=C3C(=O)O

InChI

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