2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazole

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1-ethyl-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-1-ethyl-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1-ethyl-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-1-ethyl-5-piperidinosulfonyl-benzimidazole Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C24H29N3O4S2/c1-2-27-21-9-8-19(33(28,29)26-11-4-3-5-12-26)16-20(21)25-24(27)17-32-18-7-10-22-23(15-18)31-14-6-13-30-22/h7-10,15-16H,2-6,11-14,17H2,1H3