[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfonylpropanoate

Systemtic Name: [2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfonylpropanoate Openeye Name: [2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl] 3-(4-fluorophenyl)sulfonylpropanoate CAS Name: 3-(4-fluorophenyl)sulfonylpropanoic acid [2-(5-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-methylanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate Traditional Name: 3-(4-fluorophenyl)sulfonylpropionic acid [2-(5-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C18H17ClFNO5S MolecularWeight: 413.847683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H17ClFNO5S/c1-12-2-3-13(19)10-16(12)21-17(22)11-26-18(23)8-9-27(24,25)15-6-4-14(20)5-7-15/h2-7,10H,8-9,11H2,1H3,(H,21,22)