(3,5-dimethyl-4-methylsulfonyl-phenyl) N-methylcarbamate; phenol

Systemtic Name: (3,5-dimethyl-4-methylsulfonyl-phenyl) N-methylcarbamate; phenol Openeye Name: (3,5-dimethyl-4-methylsulfonyl-phenyl) N-methylcarbamate; phenol CAS Name: N-methylcarbamic acid (3,5-dimethyl-4-methylsulfonylphenyl) ester; phenol IUPAC Name: (3,5-dimethyl-4-methylsulfonylphenyl) N-methylcarbamate; phenol Traditional Name: N-methylcarbamic acid (4-mesyl-3,5-dimethyl-phenyl) ester; phenol Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)C)C)OC(=O)NC.C1=CC=C(C=C1)O

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C)C)OC(=O)NC.C1=CC=C(C=C1)O

InChI

InChI=1S/C11H15NO4S.C6H6O/c1-7-5-9(16-11(13)12-3)6-8(2)10(7)17(4,14)15;7-6-4-2-1-3-5-6/h5-6H,1-4H3,(H,12,13);1-5,7H