2-(2-azanyl-5-bromanyl-pyridin-4-yl)oxy-4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 2-(2-azanyl-5-bromanyl-pyridin-4-yl)oxy-4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-benzamide Openeye Name: 2-[(2-amino-5-bromo-4-pyridyl)oxy]-4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(tetrahydropyran-4-ylmethylamino)phenyl]sulfonyl-benzamide CAS Name: 2-[(2-amino-5-bromo-4-pyridinyl)oxy]-4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]-N-[3-nitro-4-(4-oxanylmethylamino)phenyl]sulfonylbenzamide IUPAC Name: 2-(2-amino-5-bromopyridin-4-yl)oxy-4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonylbenzamide Traditional Name: 2-[(2-amino-5-bromo-4-pyridyl)oxy]-4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazino]-N-[3-nitro-4-(tetrahydropyran-4-ylmethylamino)phenyl]sulfonyl-benzamide Formula: C43H49BrClN7O7S MolecularWeight: 923.31386

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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(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CC(=NC=C7Br)N)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(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CC(=NC=C7Br)N)C

InChI

InChI=1S/C43H49BrClN7O7S/c1-43(2)14-11-30(35(24-43)29-3-5-31(45)6-4-29)27-50-15-17-51(18-16-50)32-7-9-34(39(21-32)59-40-23-41(46)48-26-36(40)44)42(53)49-60(56,57)33-8-10-37(38(22-33)52(54)55)47-25-28-12-19-58-20-13-28/h3-10,21-23,26,28,47H,11-20,24-25,27H2,1-2H3,(H2,46,48)(H,49,53)