6,7-dimethoxy-2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6,7-dimethoxy-2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-dimethoxy-2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethoxy-2-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-dimethoxy-2-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC4=CC(=C(C=C4C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC4=CC(=C(C=C4C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O6S/c1-23-8-10-25(11-9-23)33(29,30)18-4-5-19(20(14-18)26(27)28)24-7-6-16-12-21(31-2)22(32-3)13-17(16)15-24/h4-5,12-14H,6-11,15H2,1-3H3