(1S)-2-(8-methoxyquinolin-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylate

Systemtic Name: (1S)-2-(8-methoxyquinolin-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Openeye Name: (1S)-2-[(8-methoxy-4-quinolyl)sulfonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate CAS Name: (1S)-2-[(8-methoxy-4-quinolinyl)sulfonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate IUPAC Name: (1S)-2-(8-methoxyquinolin-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Traditional Name: (1S)-2-[(8-methoxy-4-quinolyl)sulfonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate Formula: C20H17N2O5S- MolecularWeight: 397.42438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C(C=CN=C21)S(=O)(=O)N3CCC4=CC=CC=C4C3C(=O)[O-]

Isomeric SMILES

COC1=CC=CC2=C(C=CN=C21)S(=O)(=O)N3CCC4=CC=CC=C4[C@H]3C(=O)[O-]

InChI

InChI=1S/C20H18N2O5S/c1-27-16-8-4-7-15-17(9-11-21-18(15)16)28(25,26)22-12-10-13-5-2-3-6-14(13)19(22)20(23)24/h2-9,11,19H,10,12H2,1H3,(H,23,24)/p-1/t19-/m0/s1