(4-propoxyphenyl) 3,4-dihydro-1H-isoquinoline-2-sulfonate

Systemtic Name: (4-propoxyphenyl) 3,4-dihydro-1H-isoquinoline-2-sulfonate Openeye Name: (4-propoxyphenyl) 3,4-dihydro-1H-isoquinoline-2-sulfonate CAS Name: 3,4-dihydro-1H-isoquinoline-2-sulfonic acid (4-propoxyphenyl) ester IUPAC Name: (4-propoxyphenyl) 3,4-dihydro-1H-isoquinoline-2-sulfonate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-sulfonic acid (4-propoxyphenyl) ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OS(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCOC1=CC=C(C=C1)OS(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H21NO4S/c1-2-13-22-17-7-9-18(10-8-17)23-24(20,21)19-12-11-15-5-3-4-6-16(15)14-19/h3-10H,2,11-14H2,1H3