[4-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)phenyl] pentane-1-sulfonate

Systemtic Name: [4-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)phenyl] pentane-1-sulfonate Openeye Name: [4-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)phenyl] pentane-1-sulfonate CAS Name: 1-pentanesulfonic acid IUPAC Name: [4-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)phenyl] pentane-1-sulfonate Traditional Name: pentane-1-sulfonic acid [4-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)phenyl] ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)OC1=CC=C(C=C1)OC2=CC=CC3=C2CCNC3

Isomeric SMILES

CCCCCS(=O)(=O)OC1=CC=C(C=C1)OC2=CC=CC3=C2CCNC3

InChI

InChI=1S/C20H25NO4S/c1-2-3-4-14-26(22,23)25-18-10-8-17(9-11-18)24-20-7-5-6-16-15-21-13-12-19(16)20/h5-11,21H,2-4,12-15H2,1H3