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2-(4-methoxy-3-piperazin-1-yl-phenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
2-(4-methoxy-3-piperazin-1-yl-phenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
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Descriptors Computed from Structure
Canonical SMILES:
COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3CCCCC3C2)N4CCNCC4
Isomeric SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3CCCCC3C2)N4CCNCC4
InChI
InChI=1S/C20H31N3O3S/c1-26-20-7-6-18(14-19(20)22-12-9-21-10-13-22)27(24,25)23-11-8-16-4-2-3-5-17(16)15-23/h6-7,14,16-17,21H,2-5,8-13,15H2,1H3
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- 1-(4-methoxy-3-piperazin-1-yl-phenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
