(1-butyl-1,2,3,4-tetrahydroisoquinolin-7-yl) 2-cyanobenzenesulfonate

Systemtic Name: (1-butyl-1,2,3,4-tetrahydroisoquinolin-7-yl) 2-cyanobenzenesulfonate Openeye Name: (1-butyl-1,2,3,4-tetrahydroisoquinolin-7-yl) 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic acid (1-butyl-1,2,3,4-tetrahydroisoquinolin-7-yl) ester IUPAC Name: (1-butyl-1,2,3,4-tetrahydroisoquinolin-7-yl) 2-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid (1-butyl-1,2,3,4-tetrahydroisoquinolin-7-yl) ester Formula: C20H22N2O3S MolecularWeight: 370.46528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=C(CCN1)C=CC(=C2)OS(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCC1C2=C(CCN1)C=CC(=C2)OS(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H22N2O3S/c1-2-3-7-19-18-13-17(10-9-15(18)11-12-22-19)25-26(23,24)20-8-5-4-6-16(20)14-21/h4-6,8-10,13,19,22H,2-3,7,11-12H2,1H3