tert-butyl 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-2-fluoranyl-benzoate

Systemtic Name: tert-butyl 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-2-fluoranyl-benzoate Openeye Name: tert-butyl 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-2-fluoro-benzoate CAS Name: 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-2-fluorobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-2-fluorobenzoate Traditional Name: 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-2-fluoro-benzoic acid tert-butyl ester Formula: C16H23ClFNO5S MolecularWeight: 395.873923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=C(C=C1)N(CCOS(=O)(=O)C)CCCl)F

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=C(C=C1)N(CCOS(=O)(=O)C)CCCl)F

InChI

InChI=1S/C16H23ClFNO5S/c1-16(2,3)24-15(20)13-6-5-12(11-14(13)18)19(8-7-17)9-10-23-25(4,21)22/h5-6,11H,7-10H2,1-4H3