quinolin-8-ylmethyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: quinolin-8-ylmethyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: 8-quinolylmethyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 8-quinolylmethyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H22N2O4S/c1-2-29(26,27)24-14-18-8-4-3-7-17(18)13-20(24)22(25)28-15-19-10-5-9-16-11-6-12-23-21(16)19/h3-12,20H,2,13-15H2,1H3/t20-/m0/s1