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

Systemtic Name: N-[(4-fluorophenyl)methyl]-1-(phenylmethyl)-2-(2-pyridin-2-ylethylsulfanyl)benzimidazole-5-sulfonamide Openeye Name: 1-benzyl-N-[(4-fluorophenyl)methyl]-2-[2-(2-pyridyl)ethylsulfanyl]benzimidazole-5-sulfonamide CAS Name: N-[(4-fluorophenyl)methyl]-1-(phenylmethyl)-2-[2-(2-pyridinyl)ethylthio]-5-benzimidazolesulfonamide IUPAC Name: 1-benzyl-N-[(4-fluorophenyl)methyl]-2-(2-pyridin-2-ylethylsulfanyl)benzimidazole-5-sulfonamide Traditional Name: 1-benzyl-N-(4-fluorobenzyl)-2-[2-(2-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=CC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)S(=O)(=O)NCC4=CC=C(C=C4)F)N=C2SCCC5=CC=CC=N5

InChI

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