cyanomethyl (2S)-2-[(2-bromophenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: cyanomethyl (2S)-2-[(2-bromophenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: cyanomethyl (2S)-2-[(2-bromobenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S)-2-[(2-bromobenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-4-mesyl-butyric acid cyanomethyl ester Formula: C14H15BrN2O5S MolecularWeight: 403.2483

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)OCC#N)NC(=O)C1=CC=CC=C1Br

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)OCC#N)NC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C14H15BrN2O5S/c1-23(20,21)9-6-12(14(19)22-8-7-16)17-13(18)10-4-2-3-5-11(10)15/h2-5,12H,6,8-9H2,1H3,(H,17,18)/t12-/m0/s1