tert-butyl 4-[(4-methylphenyl)sulfonyloxymethyl]-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 4-[(4-methylphenyl)sulfonyloxymethyl]-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 4-(p-tolylsulfonyloxymethyl)-1H-isoquinoline-2-carboxylate CAS Name: 4-[(4-methylphenyl)sulfonyloxymethyl]-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-methylphenyl)sulfonyloxymethyl]-1H-isoquinoline-2-carboxylate Traditional Name: 4-(tosyloxymethyl)-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CN(CC3=CC=CC=C32)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CN(CC3=CC=CC=C32)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H25NO5S/c1-16-9-11-19(12-10-16)29(25,26)27-15-18-14-23(21(24)28-22(2,3)4)13-17-7-5-6-8-20(17)18/h5-12,14H,13,15H2,1-4H3