6-[3-[1-(6-chloranylpyridazin-3-yl)piperidin-4-yl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6-[3-[1-(6-chloranylpyridazin-3-yl)piperidin-4-yl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 6-[3-[1-(6-chloropyridazin-3-yl)-4-piperidyl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 6-[3-[1-(6-chloro-3-pyridazinyl)-4-piperidinyl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 6-[3-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 6-[3-[1-(6-chloropyridazin-3-yl)-4-piperidyl]propoxy]-2-mesyl-3,4-dihydro-1H-isoquinoline Formula: C22H29ClN4O3S MolecularWeight: 465.00866

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C(C1)C=CC(=C2)OCCCC3CCN(CC3)C4=NN=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)N1CCC2=C(C1)C=CC(=C2)OCCCC3CCN(CC3)C4=NN=C(C=C4)Cl

InChI

InChI=1S/C22H29ClN4O3S/c1-31(28,29)27-13-10-18-15-20(5-4-19(18)16-27)30-14-2-3-17-8-11-26(12-9-17)22-7-6-21(23)24-25-22/h4-7,15,17H,2-3,8-14,16H2,1H3