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

Systemtic Name: 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[3-nitro-4-(thiophen-2-ylmethylamino)phenyl]sulfonyl-2-phenoxy-benzamide Openeye Name: 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[3-nitro-4-(2-thienylmethylamino)phenyl]sulfonyl-2-phenoxy-benzamide CAS Name: 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]-1-piperazinyl]-N-[3-nitro-4-(thiophen-2-ylmethylamino)phenyl]sulfonyl-2-phenoxybenzamide IUPAC Name: 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[3-nitro-4-(thiophen-2-ylmethylamino)phenyl]sulfonyl-2-phenoxybenzamide Traditional Name: 4-[4-[2-(4-chlorophenyl)benzyl]piperazino]-N-[3-nitro-4-(2-thenylamino)phenyl]sulfonyl-2-phenoxy-benzamide Formula: C41H36ClN5O6S2 MolecularWeight: 794.33744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6=CC=CS6)[N+](=O)[O-])OC7=CC=CC=C7

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6=CC=CS6)[N+](=O)[O-])OC7=CC=CC=C7

InChI

InChI=1S/C41H36ClN5O6S2/c42-31-14-12-29(13-15-31)36-11-5-4-7-30(36)28-45-20-22-46(23-21-45)32-16-18-37(40(25-32)53-33-8-2-1-3-9-33)41(48)44-55(51,52)35-17-19-38(39(26-35)47(49)50)43-27-34-10-6-24-54-34/h1-19,24-26,43H,20-23,27-28H2,(H,44,48)