2-(6-azanyl-5-chloranyl-pyridin-3-yl)oxy-4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxolan-3-ylmethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 2-(6-azanyl-5-chloranyl-pyridin-3-yl)oxy-4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxolan-3-ylmethylamino)phenyl]sulfonyl-benzamide Openeye Name: 2-[(6-amino-5-chloro-3-pyridyl)oxy]-4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(tetrahydrofuran-3-ylmethylamino)phenyl]sulfonyl-benzamide CAS Name: 2-[(6-amino-5-chloro-3-pyridinyl)oxy]-4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]-N-[3-nitro-4-(3-oxolanylmethylamino)phenyl]sulfonylbenzamide IUPAC Name: 2-(6-amino-5-chloropyridin-3-yl)oxy-4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxolan-3-ylmethylamino)phenyl]sulfonylbenzamide Traditional Name: 2-[(6-amino-5-chloro-3-pyridyl)oxy]-4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazino]-N-[3-nitro-4-(tetrahydrofuran-3-ylmethylamino)phenyl]sulfonyl-benzamide Formula: C42H47Cl2N7O7S MolecularWeight: 864.83628

Click to see the large picture

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)NCC6CCOC6)[N+](=O)[O-])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(C=C5)NCC6CCOC6)[N+](=O)[O-])OC7=CC(=C(N=C7)N)Cl)C

InChI

InChI=1S/C42H47Cl2N7O7S/c1-42(2)13-11-29(35(22-42)28-3-5-30(43)6-4-28)25-49-14-16-50(17-15-49)31-7-9-34(39(19-31)58-32-20-36(44)40(45)47-24-32)41(52)48-59(55,56)33-8-10-37(38(21-33)51(53)54)46-23-27-12-18-57-26-27/h3-10,19-21,24,27,46H,11-18,22-23,25-26H2,1-2H3,(H2,45,47)(H,48,52)