(4S)-5,8-dimethoxy-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-3,4-dihydro-1H-isoquinolin-4-ol

Systemtic Name: (4S)-5,8-dimethoxy-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-3,4-dihydro-1H-isoquinolin-4-ol Openeye Name: (4S)-5,8-dimethoxy-2-(4-morpholinosulfonyl-2-nitro-phenyl)-3,4-dihydro-1H-isoquinolin-4-ol CAS Name: (4S)-5,8-dimethoxy-2-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinolin-4-ol IUPAC Name: (4S)-5,8-dimethoxy-2-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-3,4-dihydro-1H-isoquinolin-4-ol Traditional Name: (4S)-5,8-dimethoxy-2-(4-morpholinosulfonyl-2-nitro-phenyl)-3,4-dihydro-1H-isoquinolin-4-ol Formula: C21H25N3O8S MolecularWeight: 479.5035

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CN(CC(C2=C(C=C1)OC)O)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=C2CN(C[C@H](C2=C(C=C1)OC)O)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O8S/c1-30-19-5-6-20(31-2)21-15(19)12-22(13-18(21)25)16-4-3-14(11-17(16)24(26)27)33(28,29)23-7-9-32-10-8-23/h3-6,11,18,25H,7-10,12-13H2,1-2H3/t18-/m1/s1