(2-methoxy-4-methyl-phenyl) 3,4-dihydro-1H-isoquinoline-2-sulfonate

Systemtic Name: (2-methoxy-4-methyl-phenyl) 3,4-dihydro-1H-isoquinoline-2-sulfonate Openeye Name: (2-methoxy-4-methyl-phenyl) 3,4-dihydro-1H-isoquinoline-2-sulfonate CAS Name: 3,4-dihydro-1H-isoquinoline-2-sulfonic acid (2-methoxy-4-methylphenyl) ester IUPAC Name: (2-methoxy-4-methylphenyl) 3,4-dihydro-1H-isoquinoline-2-sulfonate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-sulfonic acid (2-methoxy-4-methyl-phenyl) ester Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)N2CCC3=CC=CC=C3C2)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)N2CCC3=CC=CC=C3C2)OC

InChI

InChI=1S/C17H19NO4S/c1-13-7-8-16(17(11-13)21-2)22-23(19,20)18-10-9-14-5-3-4-6-15(14)12-18/h3-8,11H,9-10,12H2,1-2H3