5-(3,4-dimethylphenoxy)-1-methylsulfonyl-azepan-4-ol

Systemtic Name: 5-(3,4-dimethylphenoxy)-1-methylsulfonyl-azepan-4-ol Openeye Name: 5-(3,4-dimethylphenoxy)-1-methylsulfonyl-azepan-4-ol CAS Name: 5-(3,4-dimethylphenoxy)-1-methylsulfonyl-4-azepanol IUPAC Name: 5-(3,4-dimethylphenoxy)-1-methylsulfonylazepan-4-ol Traditional Name: 5-(3,4-dimethylphenoxy)-1-mesyl-azepan-4-ol Formula: C15H23NO4S MolecularWeight: 313.41242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2CCN(CCC2O)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2CCN(CCC2O)S(=O)(=O)C)C

InChI

InChI=1S/C15H23NO4S/c1-11-4-5-13(10-12(11)2)20-15-7-9-16(21(3,18)19)8-6-14(15)17/h4-5,10,14-15,17H,6-9H2,1-3H3