2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide CAS Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-1-ethyl-N,N-dimethyl-5-benzimidazolesulfonamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide Traditional Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H25N3O4S2/c1-4-24-18-8-7-16(30(25,26)23(2)3)13-17(18)22-21(24)14-29-15-6-9-19-20(12-15)28-11-5-10-27-19/h6-9,12-13H,4-5,10-11,14H2,1-3H3