[(1R,2S)-2-[2,2-bis(chloranyl)ethanoylamino]-3-fluoranyl-1-(4-methylsulfonylphenyl)propyl] 2-(ethylamino)ethyl carbonate hydrochloride

Systemtic Name: [(1R,2S)-2-[2,2-bis(chloranyl)ethanoylamino]-3-fluoranyl-1-(4-methylsulfonylphenyl)propyl] 2-(ethylamino)ethyl carbonate hydrochloride Openeye Name: [(1R,2S)-2-[(2,2-dichloroacetyl)amino]-3-fluoro-1-(4-methylsulfonylphenyl)propyl] 2-(ethylamino)ethyl carbonate hydrochloride CAS Name: carbonic acid [(1R,2S)-2-[(2,2-dichloro-1-oxoethyl)amino]-3-fluoro-1-(4-methylsulfonylphenyl)propyl] 2-(ethylamino)ethyl ester hydrochloride IUPAC Name: [(1R,2S)-2-[(2,2-dichloroacetyl)amino]-3-fluoro-1-(4-methylsulfonylphenyl)propyl] 2-(ethylamino)ethyl carbonate hydrochloride Traditional Name: carbonic acid [(1R,2S)-2-[(2,2-dichloroacetyl)amino]-3-fluoro-1-(4-mesylphenyl)propyl] 2-(ethylamino)ethyl ester hydrochloride Formula: C17H24Cl3FN2O6S MolecularWeight: 509.804663

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCOC(=O)OC(C1=CC=C(C=C1)S(=O)(=O)C)C(CF)NC(=O)C(Cl)Cl.Cl

Isomeric SMILES

CCNCCOC(=O)O[C@H](C1=CC=C(C=C1)S(=O)(=O)C)[C@@H](CF)NC(=O)C(Cl)Cl.Cl

InChI

InChI=1S/C17H23Cl2FN2O6S.ClH/c1-3-21-8-9-27-17(24)28-14(13(10-20)22-16(23)15(18)19)11-4-6-12(7-5-11)29(2,25)26;/h4-7,13-15,21H,3,8-10H2,1-2H3,(H,22,23);1H/t13-,14-;/m1./s1