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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzenesulfonic acid Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzenesulfonic acid CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzenesulfonic acid IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzenesulfonic acid Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)besylic acid Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC=CC=C3S(=O)(=O)O

InChI

InChI=1S/C16H17NO3S/c18-21(19,20)16-8-4-3-7-15(16)12-17-10-9-13-5-1-2-6-14(13)11-17/h1-8H,9-12H2,(H,18,19,20)