[4-[(1R,2S)-2-[2,2-bis(chloranyl)ethanoylamino]-3-fluoranyl-1-(4-methylsulfonylphenyl)propoxy]-4-oxidanylidene-butyl]-trimethyl-azanium

Systemtic Name: [4-[(1R,2S)-2-[2,2-bis(chloranyl)ethanoylamino]-3-fluoranyl-1-(4-methylsulfonylphenyl)propoxy]-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: [4-[(1R,2S)-2-[(2,2-dichloroacetyl)amino]-3-fluoro-1-(4-methylsulfonylphenyl)propoxy]-4-oxo-butyl]-trimethyl-ammonium CAS Name: [4-[(1R,2S)-2-[(2,2-dichloro-1-oxoethyl)amino]-3-fluoro-1-(4-methylsulfonylphenyl)propoxy]-4-oxobutyl]-trimethylammonium IUPAC Name: [4-[(1R,2S)-2-[(2,2-dichloroacetyl)amino]-3-fluoro-1-(4-methylsulfonylphenyl)propoxy]-4-oxobutyl]-trimethylazanium Traditional Name: [4-[(1R,2S)-2-[(2,2-dichloroacetyl)amino]-3-fluoro-1-(4-mesylphenyl)propoxy]-4-keto-butyl]-trimethyl-ammonium Formula: C19H28Cl2FN2O5S+ MolecularWeight: 486.405423

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCC(=O)OC(C1=CC=C(C=C1)S(=O)(=O)C)C(CF)NC(=O)C(Cl)Cl

Isomeric SMILES

C[N+](C)(C)CCCC(=O)O[C@H](C1=CC=C(C=C1)S(=O)(=O)C)[C@@H](CF)NC(=O)C(Cl)Cl

InChI

InChI=1S/C19H27Cl2FN2O5S/c1-24(2,3)11-5-6-16(25)29-17(15(12-22)23-19(26)18(20)21)13-7-9-14(10-8-13)30(4,27)28/h7-10,15,17-18H,5-6,11-12H2,1-4H3/p+1/t15-,17-/m1/s1