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

Systemtic Name: 4-[1-cyclopentyl-2-(2-methoxyethyl)benzimidazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[1-cyclopentyl-2-(2-methoxyethyl)benzimidazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[1-cyclopentyl-2-(2-methoxyethyl)-5-benzimidazolyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[1-cyclopentyl-2-(2-methoxyethyl)benzimidazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[1-cyclopentyl-2-(2-methoxyethyl)benzimidazol-5-yl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C36H37N5O6S2 MolecularWeight: 699.83888

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1=NC2=C(N1C3CCCC3)C=CC(=C2)C4=CC=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCCSC6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

COCCC1=NC2=C(N1C3CCCC3)C=CC(=C2)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/C36H37N5O6S2/c1-47-21-19-35-38-32-23-27(15-18-33(32)40(35)28-7-5-6-8-28)25-11-13-26(14-12-25)36(42)39-49(45,46)30-16-17-31(34(24-30)41(43)44)37-20-22-48-29-9-3-2-4-10-29/h2-4,9-18,23-24,28,37H,5-8,19-22H2,1H3,(H,39,42)