4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-2-[[3-(3-morpholin-4-yl-3-oxidanylidene-propyl)-1H-indol-5-yl]oxy]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-2-[[3-(3-morpholin-4-yl-3-oxidanylidene-propyl)-1H-indol-5-yl]oxy]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-2-[[3-(3-morpholino-3-oxo-propyl)-1H-indol-5-yl]oxy]-N-[3-nitro-4-(tetrahydropyran-4-ylmethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]-1-piperazinyl]-2-[[3-[3-(4-morpholinyl)-3-oxopropyl]-1H-indol-5-yl]oxy]-N-[3-nitro-4-(4-oxanylmethylamino)phenyl]sulfonylbenzamide IUPAC Name: 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-2-[[3-(3-morpholin-4-yl-3-oxopropyl)-1H-indol-5-yl]oxy]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[4-[2-(4-chlorophenyl)benzyl]piperazino]-2-[[3-(3-keto-3-morpholino-propyl)-1H-indol-5-yl]oxy]-N-[3-nitro-4-(tetrahydropyran-4-ylmethylamino)phenyl]sulfonyl-benzamide Formula: C51H54ClN7O9S MolecularWeight: 976.53396

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=C(C=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)OC7=CC8=C(C=C7)NC=C8CCC(=O)N9CCOCC9)[N+](=O)[O-]

Isomeric SMILES

C1COCCC1CNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=C(C=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)OC7=CC8=C(C=C7)NC=C8CCC(=O)N9CCOCC9)[N+](=O)[O-]

InChI

InChI=1S/C51H54ClN7O9S/c52-39-8-5-36(6-9-39)43-4-2-1-3-38(43)34-56-19-21-57(22-20-56)40-10-13-44(51(61)55-69(64,65)42-12-15-47(48(31-42)59(62)63)53-32-35-17-25-66-26-18-35)49(29-40)68-41-11-14-46-45(30-41)37(33-54-46)7-16-50(60)58-23-27-67-28-24-58/h1-6,8-15,29-31,33,35,53-54H,7,16-28,32,34H2,(H,55,61)