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

Systemtic Name: (4S)-5,8-dimethoxy-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-3,4-dihydro-1H-isoquinolin-4-ol Openeye Name: (4S)-5,8-dimethoxy-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-3,4-dihydro-1H-isoquinolin-4-ol CAS Name: (4S)-5,8-dimethoxy-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-3,4-dihydro-1H-isoquinolin-4-ol IUPAC Name: (4S)-5,8-dimethoxy-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinolin-4-ol Traditional Name: (4S)-5,8-dimethoxy-2-(2-nitro-4-pyrrolidinosulfonyl-phenyl)-3,4-dihydro-1H-isoquinolin-4-ol Formula: C21H25N3O7S MolecularWeight: 463.5041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CN(CC(C2=C(C=C1)OC)O)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[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)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O7S/c1-30-19-7-8-20(31-2)21-15(19)12-22(13-18(21)25)16-6-5-14(11-17(16)24(26)27)32(28,29)23-9-3-4-10-23/h5-8,11,18,25H,3-4,9-10,12-13H2,1-2H3/t18-/m1/s1