[2-[cyclohexen-1-yl(ethyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[cyclohexen-1-yl(ethyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-[cyclohexen-1-yl(ethyl)amino]-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-[1-cyclohexenyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-[cyclohexen-1-yl(ethyl)amino]-2-keto-ethyl] ester Formula: C18H22ClNO5S MolecularWeight: 399.88898

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CCCCC1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CCN(C1=CCCCC1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H22ClNO5S/c1-3-20(13-7-5-4-6-8-13)17(21)12-25-18(22)15-11-14(26(2,23)24)9-10-16(15)19/h7,9-11H,3-6,8,12H2,1-2H3