(4-methylphenyl)sulfonyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Systemtic Name: (4-methylphenyl)sulfonyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: p-tolylsulfonyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate CAS Name: 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (4-methylphenyl)sulfonyl ester IUPAC Name: (4-methylphenyl)sulfonyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate Traditional Name: 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid tosyl ester Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(=O)C2CC3=CC=CC=C3CN2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(=O)C2CC3=CC=CC=C3CN2

InChI

InChI=1S/C17H17NO4S/c1-12-6-8-15(9-7-12)23(20,21)22-17(19)16-10-13-4-2-3-5-14(13)11-18-16/h2-9,16,18H,10-11H2,1H3