4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-2-[[3-(3-morpholin-4-ylpropyl)-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-ylpropyl)-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-morpholinopropyl)-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)propyl]-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-ylpropyl)-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-morpholinopropyl)-1H-indol-5-yl]oxy]-N-[3-nitro-4-(tetrahydropyran-4-ylmethylamino)phenyl]sulfonyl-benzamide Formula: C51H56ClN7O8S MolecularWeight: 962.55044

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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=C8CCCN9CCOCC9)[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=C8CCCN9CCOCC9)[N+](=O)[O-]

InChI

InChI=1S/C51H56ClN7O8S/c52-40-9-7-37(8-10-40)44-6-2-1-4-39(44)35-57-20-22-58(23-21-57)41-11-14-45(50(30-41)67-42-12-15-47-46(31-42)38(34-54-47)5-3-19-56-24-28-66-29-25-56)51(60)55-68(63,64)43-13-16-48(49(32-43)59(61)62)53-33-36-17-26-65-27-18-36/h1-2,4,6-16,30-32,34,36,53-54H,3,5,17-29,33,35H2,(H,55,60)