(3-isoquinolin-5-ylphenyl) pentane-1-sulfonate

Systemtic Name: (3-isoquinolin-5-ylphenyl) pentane-1-sulfonate Openeye Name: [3-(5-isoquinolyl)phenyl] pentane-1-sulfonate CAS Name: 1-pentanesulfonic acid IUPAC Name: (3-isoquinolin-5-ylphenyl) pentane-1-sulfonate Traditional Name: pentane-1-sulfonic acid [3-(5-isoquinolyl)phenyl] ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)OC1=CC=CC(=C1)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCCCS(=O)(=O)OC1=CC=CC(=C1)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H21NO3S/c1-2-3-4-13-25(22,23)24-18-9-5-7-16(14-18)19-10-6-8-17-15-21-12-11-20(17)19/h5-12,14-15H,2-4,13H2,1H3