(3-quinolin-8-ylphenyl) pentane-1-sulfonate

Systemtic Name: (3-quinolin-8-ylphenyl) pentane-1-sulfonate Openeye Name: [3-(8-quinolyl)phenyl] pentane-1-sulfonate CAS Name: 1-pentanesulfonic acid IUPAC Name: (3-quinolin-8-ylphenyl) pentane-1-sulfonate Traditional Name: pentane-1-sulfonic acid [3-(8-quinolyl)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=C2N=CC=C3

Isomeric SMILES

CCCCCS(=O)(=O)OC1=CC=CC(=C1)C2=CC=CC3=C2N=CC=C3

InChI

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