5-[3,4-bis(chloranyl)phenoxy]-1-methylsulfonyl-azepan-4-ol

Systemtic Name: 5-[3,4-bis(chloranyl)phenoxy]-1-methylsulfonyl-azepan-4-ol Openeye Name: 5-(3,4-dichlorophenoxy)-1-methylsulfonyl-azepan-4-ol CAS Name: 5-(3,4-dichlorophenoxy)-1-methylsulfonyl-4-azepanol IUPAC Name: 5-(3,4-dichlorophenoxy)-1-methylsulfonylazepan-4-ol Traditional Name: 5-(3,4-dichlorophenoxy)-1-mesyl-azepan-4-ol Formula: C13H17Cl2NO4S MolecularWeight: 354.24938

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(C(CC1)OC2=CC(=C(C=C2)Cl)Cl)O

Isomeric SMILES

CS(=O)(=O)N1CCC(C(CC1)OC2=CC(=C(C=C2)Cl)Cl)O

InChI

InChI=1S/C13H17Cl2NO4S/c1-21(18,19)16-6-4-12(17)13(5-7-16)20-9-2-3-10(14)11(15)8-9/h2-3,8,12-13,17H,4-7H2,1H3