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

Systemtic Name: [1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-ethylsulfonylbenzoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)OC(C)C(=O)NCCC2=CCCCC2

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)OC(C)C(=O)NCCC2=CCCCC2

InChI

InChI=1S/C20H27NO5S/c1-3-27(24,25)18-12-8-7-11-17(18)20(23)26-15(2)19(22)21-14-13-16-9-5-4-6-10-16/h7-9,11-12,15H,3-6,10,13-14H2,1-2H3,(H,21,22)