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

Systemtic Name: (3-methoxyphenyl)methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3-methoxyphenyl)methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (3-methoxyphenyl)methyl ester IUPAC Name: (3-methoxyphenyl)methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid m-anisyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=CC(=CC=C3)OC

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OCC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H23NO5S/c1-3-27(23,24)21-13-17-9-5-4-8-16(17)12-19(21)20(22)26-14-15-7-6-10-18(11-15)25-2/h4-11,19H,3,12-14H2,1-2H3/t19-/m0/s1