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

Systemtic Name: 4-[1-butyl-2-(2-methoxyethyl)benzimidazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[1-butyl-2-(2-methoxyethyl)benzimidazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[1-butyl-2-(2-methoxyethyl)-5-benzimidazolyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[1-butyl-2-(2-methoxyethyl)benzimidazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[1-butyl-2-(2-methoxyethyl)benzimidazol-5-yl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C35H37N5O6S2 MolecularWeight: 687.82818

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-])N=C1CCOC

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-])N=C1CCOC

InChI

InChI=1S/C35H37N5O6S2/c1-3-4-20-39-32-17-14-27(23-31(32)37-34(39)18-21-46-2)25-10-12-26(13-11-25)35(41)38-48(44,45)29-15-16-30(33(24-29)40(42)43)36-19-22-47-28-8-6-5-7-9-28/h5-17,23-24,36H,3-4,18-22H2,1-2H3,(H,38,41)