2-[(3-bromophenyl)methylsulfanyl]-N,N-diethyl-1-(oxolan-2-ylmethyl)benzimidazole-5-sulfonamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N,N-diethyl-1-(oxolan-2-ylmethyl)benzimidazole-5-sulfonamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N,N-diethyl-1-(tetrahydrofuran-2-ylmethyl)benzimidazole-5-sulfonamide CAS Name: 2-[(3-bromophenyl)methylthio]-N,N-diethyl-1-(2-oxolanylmethyl)-5-benzimidazolesulfonamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N,N-diethyl-1-(oxolan-2-ylmethyl)benzimidazole-5-sulfonamide Traditional Name: 2-[(3-bromobenzyl)thio]-N,N-diethyl-1-(tetrahydrofurfuryl)benzimidazole-5-sulfonamide Formula: C23H28BrN3O3S2 MolecularWeight: 538.52072

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC(=CC=C3)Br)CC4CCCO4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC(=CC=C3)Br)CC4CCCO4

InChI

InChI=1S/C23H28BrN3O3S2/c1-3-26(4-2)32(28,29)20-10-11-22-21(14-20)25-23(27(22)15-19-9-6-12-30-19)31-16-17-7-5-8-18(24)13-17/h5,7-8,10-11,13-14,19H,3-4,6,9,12,15-16H2,1-2H3