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

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-(2-morpholin-4-ylethylsulfanyl)-1-(phenylmethyl)benzimidazole-5-sulfonamide Openeye Name: 1-benzyl-N-[(4-fluorophenyl)methyl]-2-(2-morpholinoethylsulfanyl)benzimidazole-5-sulfonamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[2-(4-morpholinyl)ethylthio]-1-(phenylmethyl)-5-benzimidazolesulfonamide IUPAC Name: 1-benzyl-N-[(4-fluorophenyl)methyl]-2-(2-morpholin-4-ylethylsulfanyl)benzimidazole-5-sulfonamide Traditional Name: 1-benzyl-N-(4-fluorobenzyl)-2-(2-morpholinoethylthio)benzimidazole-5-sulfonamide Formula: C27H29FN4O3S2 MolecularWeight: 540.672563

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)S(=O)(=O)NCC5=CC=C(C=C5)F

Isomeric SMILES

C1COCCN1CCSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)S(=O)(=O)NCC5=CC=C(C=C5)F

InChI

InChI=1S/C27H29FN4O3S2/c28-23-8-6-21(7-9-23)19-29-37(33,34)24-10-11-26-25(18-24)30-27(32(26)20-22-4-2-1-3-5-22)36-17-14-31-12-15-35-16-13-31/h1-11,18,29H,12-17,19-20H2