2-(6-azanyl-5-chloranyl-pyridin-3-yl)oxy-N-[6-[[(3R)-1-[2,2-bis(fluoranyl)ethyl]pyrrolidin-3-yl]methoxy]-5-chloranyl-pyridin-3-yl]sulfonyl-4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]benzamide

Systemtic Name: 2-(6-azanyl-5-chloranyl-pyridin-3-yl)oxy-N-[6-[[(3R)-1-[2,2-bis(fluoranyl)ethyl]pyrrolidin-3-yl]methoxy]-5-chloranyl-pyridin-3-yl]sulfonyl-4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]benzamide Openeye Name: 2-[(6-amino-5-chloro-3-pyridyl)oxy]-N-[[5-chloro-6-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methoxy]-3-pyridyl]sulfonyl]-4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]benzamide CAS Name: 2-[(6-amino-5-chloro-3-pyridinyl)oxy]-N-[[5-chloro-6-[[(3R)-1-(2,2-difluoroethyl)-3-pyrrolidinyl]methoxy]-3-pyridinyl]sulfonyl]-4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzamide IUPAC Name: 2-(6-amino-5-chloropyridin-3-yl)oxy-N-[5-chloro-6-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methoxy]pyridin-3-yl]sulfonyl-4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzamide Traditional Name: 2-[(6-amino-5-chloro-3-pyridyl)oxy]-N-[[5-chloro-6-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methoxy]-3-pyridyl]sulfonyl]-4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazino]benzamide Formula: C43H48Cl3F2N7O5S MolecularWeight: 919.305926

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(N=C5)OCC6CCN(C6)CC(F)F)Cl)OC7=CC(=C(N=C7)N)Cl)C

Isomeric SMILES

CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(N=C5)OC[C@@H]6CCN(C6)CC(F)F)Cl)OC7=CC(=C(N=C7)N)Cl)C

InChI

InChI=1S/C43H48Cl3F2N7O5S/c1-43(2)11-9-29(35(20-43)28-3-5-30(44)6-4-28)24-53-13-15-55(16-14-53)31-7-8-34(38(17-31)60-32-18-36(45)40(49)50-21-32)41(56)52-61(57,58)33-19-37(46)42(51-22-33)59-26-27-10-12-54(23-27)25-39(47)48/h3-8,17-19,21-22,27,39H,9-16,20,23-26H2,1-2H3,(H2,49,50)(H,52,56)/t27-/m1/s1