[1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate

Systemtic Name: [1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate Openeye Name: [2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NCC1CCCCC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C18H25NO5S/c1-13(17(20)19-12-14-7-4-3-5-8-14)24-18(21)15-9-6-10-16(11-15)25(2,22)23/h6,9-11,13-14H,3-5,7-8,12H2,1-2H3,(H,19,20)