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

Systemtic Name: (4S)-5,8-dimethoxy-2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-3,4-dihydro-1H-isoquinolin-4-ol Openeye Name: (4S)-5,8-dimethoxy-2-[2-nitro-4-(1-piperidylsulfonyl)phenyl]-3,4-dihydro-1H-isoquinolin-4-ol CAS Name: (4S)-5,8-dimethoxy-2-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-3,4-dihydro-1H-isoquinolin-4-ol IUPAC Name: (4S)-5,8-dimethoxy-2-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinolin-4-ol Traditional Name: (4S)-5,8-dimethoxy-2-(2-nitro-4-piperidinosulfonyl-phenyl)-3,4-dihydro-1H-isoquinolin-4-ol Formula: C22H27N3O7S MolecularWeight: 477.53068

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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)N4CCCCC4)[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)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O7S/c1-31-20-8-9-21(32-2)22-16(20)13-23(14-19(22)26)17-7-6-15(12-18(17)25(27)28)33(29,30)24-10-4-3-5-11-24/h6-9,12,19,26H,3-5,10-11,13-14H2,1-2H3/t19-/m1/s1