5-(2,3-dimethylphenoxy)-1-methylsulfonyl-2,3,4,5-tetrahydroazepin-4-ol

Systemtic Name: 5-(2,3-dimethylphenoxy)-1-methylsulfonyl-2,3,4,5-tetrahydroazepin-4-ol Openeye Name: 5-(2,3-dimethylphenoxy)-1-methylsulfonyl-2,3,4,5-tetrahydroazepin-4-ol CAS Name: 5-(2,3-dimethylphenoxy)-1-methylsulfonyl-2,3,4,5-tetrahydroazepin-4-ol IUPAC Name: 5-(2,3-dimethylphenoxy)-1-methylsulfonyl-2,3,4,5-tetrahydroazepin-4-ol Traditional Name: 5-(2,3-dimethylphenoxy)-1-mesyl-2,3,4,5-tetrahydroazepin-4-ol Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC2C=CN(CCC2O)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)OC2C=CN(CCC2O)S(=O)(=O)C)C

InChI

InChI=1S/C15H21NO4S/c1-11-5-4-6-14(12(11)2)20-15-8-10-16(21(3,18)19)9-7-13(15)17/h4-6,8,10,13,15,17H,7,9H2,1-3H3