[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [(2R)-1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C19H24ClNO5S MolecularWeight: 413.91556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

C[C@H](C(=O)NCCC1=CCCCC1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C19H24ClNO5S/c1-13(18(22)21-11-10-14-6-4-3-5-7-14)26-19(23)16-12-15(27(2,24)25)8-9-17(16)20/h6,8-9,12-13H,3-5,7,10-11H2,1-2H3,(H,21,22)/t13-/m1/s1