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

Systemtic Name: 6,7-dimethoxy-2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-dimethoxy-2-[2-nitro-4-(1-piperidylsulfonyl)phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethoxy-2-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-2-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-dimethoxy-2-(2-nitro-4-piperidinosulfonyl-phenyl)-3,4-dihydro-1H-isoquinoline Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H27N3O6S/c1-30-21-12-16-8-11-23(15-17(16)13-22(21)31-2)19-7-6-18(14-20(19)25(26)27)32(28,29)24-9-4-3-5-10-24/h6-7,12-14H,3-5,8-11,15H2,1-2H3