[(1R,2S)-2-[2,2-bis(chloranyl)ethanoylamino]-3-fluoranyl-1-(4-methylsulfonylphenyl)propyl] 5-(methylamino)pentanoate

Systemtic Name: [(1R,2S)-2-[2,2-bis(chloranyl)ethanoylamino]-3-fluoranyl-1-(4-methylsulfonylphenyl)propyl] 5-(methylamino)pentanoate Openeye Name: [(1R,2S)-2-[(2,2-dichloroacetyl)amino]-3-fluoro-1-(4-methylsulfonylphenyl)propyl] 5-(methylamino)pentanoate CAS Name: 5-(methylamino)pentanoic acid [(1R,2S)-2-[(2,2-dichloro-1-oxoethyl)amino]-3-fluoro-1-(4-methylsulfonylphenyl)propyl] ester IUPAC Name: [(1R,2S)-2-[(2,2-dichloroacetyl)amino]-3-fluoro-1-(4-methylsulfonylphenyl)propyl] 5-(methylamino)pentanoate Traditional Name: 5-(methylamino)valeric acid [(1R,2S)-2-[(2,2-dichloroacetyl)amino]-3-fluoro-1-(4-mesylphenyl)propyl] ester Formula: C18H25Cl2FN2O5S MolecularWeight: 471.370903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25Cl2FN2O5S/c1-22-10-4-3-5-15(24)28-16(14(11-21)23-18(25)17(19)20)12-6-8-13(9-7-12)29(2,26)27/h6-9,14,16-17,22H,3-5,10-11H2,1-2H3,(H,23,25)/t14-,16-/m1/s1