(2S)-2-[(3-bromophenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: (2S)-2-[(3-bromophenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: (2S)-2-[(3-bromobenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(3-bromophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoate IUPAC Name: (2S)-2-[(3-bromobenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[(3-bromobenzoyl)amino]-4-mesyl-butyrate Formula: C12H13BrNO5S- MolecularWeight: 363.20432

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)C1=CC(=CC=C1)Br

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)C1=CC(=CC=C1)Br

InChI

InChI=1S/C12H14BrNO5S/c1-20(18,19)6-5-10(12(16)17)14-11(15)8-3-2-4-9(13)7-8/h2-4,7,10H,5-6H2,1H3,(H,14,15)(H,16,17)/p-1/t10-/m0/s1