[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-oxo-2-(5-quinolylamino)ethyl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-oxo-2-(5-quinolinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(quinolin-5-ylamino)ethyl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-keto-2-(5-quinolylamino)ethyl] ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OCC(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C23H23N3O5S/c1-2-32(29,30)26-14-17-8-4-3-7-16(17)13-21(26)23(28)31-15-22(27)25-20-11-5-10-19-18(20)9-6-12-24-19/h3-12,21H,2,13-15H2,1H3,(H,25,27)/t21-/m0/s1