(2-methylphenyl)methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (2-methylphenyl)methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: o-tolylmethyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (2-methylbenzyl) ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=CC=CC=C3C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OCC3=CC=CC=C3C

InChI

InChI=1S/C20H23NO4S/c1-3-26(23,24)21-13-17-10-7-6-9-16(17)12-19(21)20(22)25-14-18-11-5-4-8-15(18)2/h4-11,19H,3,12-14H2,1-2H3/t19-/m0/s1