2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)benzenesulfonic acid

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)benzenesulfonic acid Openeye Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonic acid CAS Name: 2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]benzenesulfonic acid IUPAC Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonic acid Traditional Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)besylic acid Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3S(=O)(=O)O

InChI

InChI=1S/C16H15NO4S/c18-16(14-7-3-4-8-15(14)22(19,20)21)17-10-9-12-5-1-2-6-13(12)11-17/h1-8H,9-11H2,(H,19,20,21)