6,7-dimethoxy-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6,7-dimethoxy-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-dimethoxy-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethoxy-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-dimethoxy-2-(2-nitro-4-pyrrolidinosulfonyl-phenyl)-3,4-dihydro-1H-isoquinoline Formula: C21H25N3O6S MolecularWeight: 447.5047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H25N3O6S/c1-29-20-11-15-7-10-22(14-16(15)12-21(20)30-2)18-6-5-17(13-19(18)24(25)26)31(27,28)23-8-3-4-9-23/h5-6,11-13H,3-4,7-10,14H2,1-2H3