benzenesulfonic acid; (phenylmethyl) 1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Systemtic Name: benzenesulfonic acid; (phenylmethyl) 1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: benzenesulfonic acid; benzyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate CAS Name: benzenesulfonic acid; 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzenesulfonic acid; benzyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate Traditional Name: besylic acid; 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid benzyl ester Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

C1C(NCC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C17H17NO2.C6H6O3S/c19-17(20-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16;7-10(8,9)6-4-2-1-3-5-6/h1-9,16,18H,10-12H2;1-5H,(H,7,8,9)