1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methylsulfonyl-benzimidazole

Systemtic Name: 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methylsulfonyl-benzimidazole Openeye Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methylsulfonyl-benzimidazole CAS Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methylsulfonylbenzimidazole IUPAC Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methylsulfonylbenzimidazole Traditional Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-mesyl-benzimidazole Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC2=CC=CC=C2N1CC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CS(=O)(=O)C1=NC2=CC=CC=C2N1CC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C18H17ClN2O4S/c1-26(22,23)18-20-14-5-2-3-6-15(14)21(18)11-12-9-13(19)17-16(10-12)24-7-4-8-25-17/h2-3,5-6,9-10H,4,7-8,11H2,1H3