[1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H27NO5S MolecularWeight: 381.48638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C(=O)NCC2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C(=O)NCC2CCCCC2

InChI

InChI=1S/C19H27NO5S/c1-13-9-10-16(26(3,23)24)11-17(13)19(22)25-14(2)18(21)20-12-15-7-5-4-6-8-15/h9-11,14-15H,4-8,12H2,1-3H3,(H,20,21)