N-[(4-fluorophenyl)methyl]-1-(phenylmethyl)-2-(2-pyridin-3-ylethylsulfanyl)benzimidazole-5-sulfonamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-1-(phenylmethyl)-2-(2-pyridin-3-ylethylsulfanyl)benzimidazole-5-sulfonamide Openeye Name: 1-benzyl-N-[(4-fluorophenyl)methyl]-2-[2-(3-pyridyl)ethylsulfanyl]benzimidazole-5-sulfonamide CAS Name: N-[(4-fluorophenyl)methyl]-1-(phenylmethyl)-2-[2-(3-pyridinyl)ethylthio]-5-benzimidazolesulfonamide IUPAC Name: 1-benzyl-N-[(4-fluorophenyl)methyl]-2-(2-pyridin-3-ylethylsulfanyl)benzimidazole-5-sulfonamide Traditional Name: 1-benzyl-N-(4-fluorobenzyl)-2-[2-(3-pyridyl)ethylthio]benzimidazole-5-sulfonamide Formula: C28H25FN4O2S2 MolecularWeight: 532.652103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)S(=O)(=O)NCC4=CC=C(C=C4)F)N=C2SCCC5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)S(=O)(=O)NCC4=CC=C(C=C4)F)N=C2SCCC5=CN=CC=C5

InChI

InChI=1S/C28H25FN4O2S2/c29-24-10-8-22(9-11-24)19-31-37(34,35)25-12-13-27-26(17-25)32-28(33(27)20-23-5-2-1-3-6-23)36-16-14-21-7-4-15-30-18-21/h1-13,15,17-18,31H,14,16,19-20H2