4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[2-methoxy-4-(3-morpholinopropyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[2-methoxy-4-[3-(4-morpholinyl)propyl]phenyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[2-methoxy-4-(3-morpholinopropyl)phenyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C35H38N4O7S2 MolecularWeight: 690.82882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCCN2CCOCC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)CCCN2CCOCC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C35H38N4O7S2/c1-45-34-24-26(6-5-18-38-19-21-46-22-20-38)9-15-31(34)27-10-12-28(13-11-27)35(40)37-48(43,44)30-14-16-32(33(25-30)39(41)42)36-17-23-47-29-7-3-2-4-8-29/h2-4,7-16,24-25,36H,5-6,17-23H2,1H3,(H,37,40)