[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-methylsulfonylbenzoate

Systemtic Name: [1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-methylsulfonylbenzoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C19H25NO5S MolecularWeight: 379.4705

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)OC(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NCCC1=CCCCC1)OC(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C19H25NO5S/c1-14(18(21)20-13-12-15-8-4-3-5-9-15)25-19(22)16-10-6-7-11-17(16)26(2,23)24/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H,20,21)