[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-[(2-chloro-6-fluoro-benzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C18H17ClFNO5S MolecularWeight: 413.847683

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C18H17ClFNO5S/c1-21(10-14-15(19)4-3-5-16(14)20)17(22)11-26-18(23)12-6-8-13(9-7-12)27(2,24)25/h3-9H,10-11H2,1-2H3