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

Systemtic Name: N,N-diethyl-2-[(3-methylphenyl)methylsulfanyl]-1-(oxolan-2-ylmethyl)benzimidazole-5-sulfonamide Openeye Name: N,N-diethyl-2-(m-tolylmethylsulfanyl)-1-(tetrahydrofuran-2-ylmethyl)benzimidazole-5-sulfonamide CAS Name: N,N-diethyl-2-[(3-methylphenyl)methylthio]-1-(2-oxolanylmethyl)-5-benzimidazolesulfonamide IUPAC Name: N,N-diethyl-2-[(3-methylphenyl)methylsulfanyl]-1-(oxolan-2-ylmethyl)benzimidazole-5-sulfonamide Traditional Name: N,N-diethyl-2-[(3-methylbenzyl)thio]-1-(tetrahydrofurfuryl)benzimidazole-5-sulfonamide Formula: C24H31N3O3S2 MolecularWeight: 473.65124

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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)C)CC4CCCO4

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3S2/c1-4-26(5-2)32(28,29)21-11-12-23-22(15-21)25-24(27(23)16-20-10-7-13-30-20)31-17-19-9-6-8-18(3)14-19/h6,8-9,11-12,14-15,20H,4-5,7,10,13,16-17H2,1-3H3