2-hexylsulfanyl-1-[(4-phenylphenyl)methyl]-N-(phenylsulfonyl)benzimidazole-4-carboxamide

Systemtic Name: 2-hexylsulfanyl-1-[(4-phenylphenyl)methyl]-N-(phenylsulfonyl)benzimidazole-4-carboxamide Openeye Name: N-(benzenesulfonyl)-2-hexylsulfanyl-1-[(4-phenylphenyl)methyl]benzimidazole-4-carboxamide CAS Name: N-(benzenesulfonyl)-2-(hexylthio)-1-[(4-phenylphenyl)methyl]-4-benzimidazolecarboxamide IUPAC Name: N-(benzenesulfonyl)-2-hexylsulfanyl-1-[(4-phenylphenyl)methyl]benzimidazole-4-carboxamide Traditional Name: N-besyl-2-(hexylthio)-1-(4-phenylbenzyl)benzimidazole-4-carboxamide Formula: C33H33N3O3S2 MolecularWeight: 583.76342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C=CC=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCCCSC1=NC2=C(C=CC=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H33N3O3S2/c1-2-3-4-11-23-40-33-34-31-29(32(37)35-41(38,39)28-15-9-6-10-16-28)17-12-18-30(31)36(33)24-25-19-21-27(22-20-25)26-13-7-5-8-14-26/h5-10,12-22H,2-4,11,23-24H2,1H3,(H,35,37)