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

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

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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)[N+](=O)[O-])S(=O)(=O)N4CCCC4

Isomeric SMILES

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

InChI

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