N,N-diethyl-1-(oxolan-2-ylmethyl)-2-(phenylmethylsulfanyl)benzimidazole-5-sulfonamide

Systemtic Name: N,N-diethyl-1-(oxolan-2-ylmethyl)-2-(phenylmethylsulfanyl)benzimidazole-5-sulfonamide Openeye Name: 2-benzylsulfanyl-N,N-diethyl-1-(tetrahydrofuran-2-ylmethyl)benzimidazole-5-sulfonamide CAS Name: N,N-diethyl-1-(2-oxolanylmethyl)-2-(phenylmethylthio)-5-benzimidazolesulfonamide IUPAC Name: 2-benzylsulfanyl-N,N-diethyl-1-(oxolan-2-ylmethyl)benzimidazole-5-sulfonamide Traditional Name: 2-(benzylthio)-N,N-diethyl-1-(tetrahydrofurfuryl)benzimidazole-5-sulfonamide Formula: C23H29N3O3S2 MolecularWeight: 459.62466

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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)CC4CCCO4

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S2/c1-3-25(4-2)31(27,28)20-12-13-22-21(15-20)24-23(26(22)16-19-11-8-14-29-19)30-17-18-9-6-5-7-10-18/h5-7,9-10,12-13,15,19H,3-4,8,11,14,16-17H2,1-2H3