4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(4-phenylmethoxyphenoxy)benzamide

Systemtic Name: 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(4-phenylmethoxyphenoxy)benzamide Openeye Name: 2-(4-benzyloxyphenoxy)-4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[3-nitro-4-(tetrahydropyran-4-ylmethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]-1-piperazinyl]-N-[3-nitro-4-(4-oxanylmethylamino)phenyl]sulfonyl-2-(4-phenylmethoxyphenoxy)benzamide IUPAC Name: 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(4-phenylmethoxyphenoxy)benzamide Traditional Name: 2-(4-benzoxyphenoxy)-4-[4-[2-(4-chlorophenyl)benzyl]piperazino]-N-[3-nitro-4-(tetrahydropyran-4-ylmethylamino)phenyl]sulfonyl-benzamide Formula: C49H48ClN5O8S MolecularWeight: 902.45212

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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=CC=C(C=C7)OCC8=CC=CC=C8)[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=CC=C(C=C7)OCC8=CC=CC=C8)[N+](=O)[O-]

InChI

InChI=1S/C49H48ClN5O8S/c50-39-12-10-37(11-13-39)44-9-5-4-8-38(44)33-53-24-26-54(27-25-53)40-14-20-45(48(30-40)63-42-17-15-41(16-18-42)62-34-36-6-2-1-3-7-36)49(56)52-64(59,60)43-19-21-46(47(31-43)55(57)58)51-32-35-22-28-61-29-23-35/h1-21,30-31,35,51H,22-29,32-34H2,(H,52,56)