4-(1-butyl-2-oxidanylidene-3H-benzimidazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-(1-butyl-2-oxidanylidene-3H-benzimidazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(1-butyl-2-oxo-3H-benzimidazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(1-butyl-2-oxo-3H-benzimidazol-5-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(1-butyl-2-oxo-3H-benzimidazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(1-butyl-2-keto-3H-benzimidazol-5-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C32H31N5O6S2 MolecularWeight: 645.74844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-])NC1=O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-])NC1=O

InChI

InChI=1S/C32H31N5O6S2/c1-2-3-18-36-29-16-13-24(20-28(29)34-32(36)39)22-9-11-23(12-10-22)31(38)35-45(42,43)26-14-15-27(30(21-26)37(40)41)33-17-19-44-25-7-5-4-6-8-25/h4-16,20-21,33H,2-3,17-19H2,1H3,(H,34,39)(H,35,38)