(5-cyano-2-fluoranyl-phenyl)methyl (2S)-2-[(2-bromophenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl (2S)-2-[(2-bromophenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl (2S)-2-[(2-bromobenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl (2S)-2-[(2-bromobenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-4-mesyl-butyric acid (5-cyano-2-fluoro-benzyl) ester Formula: C20H18BrFN2O5S MolecularWeight: 497.334723

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)OCC1=C(C=CC(=C1)C#N)F)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)OCC1=C(C=CC(=C1)C#N)F)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C20H18BrFN2O5S/c1-30(27,28)9-8-18(24-19(25)15-4-2-3-5-16(15)21)20(26)29-12-14-10-13(11-23)6-7-17(14)22/h2-7,10,18H,8-9,12H2,1H3,(H,24,25)/t18-/m0/s1