4-[4-(3,3-diphenylprop-2-enyl)piperazin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-[4-(3,3-diphenylprop-2-enyl)piperazin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[4-(3,3-diphenylallyl)piperazin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[4-(3,3-diphenylprop-2-enyl)-1-piperazinyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[4-(3,3-diphenylprop-2-enyl)piperazin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[4-(3,3-diphenylallyl)piperazino]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C40H39N5O5S2 MolecularWeight: 733.89816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCCSC6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCCSC6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C40H39N5O5S2/c46-40(42-52(49,50)36-20-21-38(39(30-36)45(47)48)41-23-29-51-35-14-8-3-9-15-35)33-16-18-34(19-17-33)44-27-25-43(26-28-44)24-22-37(31-10-4-1-5-11-31)32-12-6-2-7-13-32/h1-22,30,41H,23-29H2,(H,42,46)