2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-N,N-diethyl-3H-benzimidazole-5-sulfonamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-N,N-diethyl-3H-benzimidazole-5-sulfonamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-N,N-diethyl-3H-benzimidazole-5-sulfonamide CAS Name: 2-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-N,N-diethyl-3H-benzimidazole-5-sulfonamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-N,N-diethyl-3H-benzimidazole-5-sulfonamide Traditional Name: 2-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-N,N-diethyl-3H-benzimidazole-5-sulfonamide Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H23N3O4S2/c1-3-23(4-2)29(24,25)15-6-7-16-17(12-15)22-20(21-16)13-28-14-5-8-18-19(11-14)27-10-9-26-18/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,21,22)