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

Systemtic Name: (2-methylphenyl)methyl (2S)-2-[(2-bromophenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: o-tolylmethyl (2S)-2-[(2-bromobenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl (2S)-2-[(2-bromobenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-4-mesyl-butyric acid (2-methylbenzyl) ester Formula: C20H22BrNO5S MolecularWeight: 468.36138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)C(CCS(=O)(=O)C)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC1=CC=CC=C1COC(=O)[C@H](CCS(=O)(=O)C)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C20H22BrNO5S/c1-14-7-3-4-8-15(14)13-27-20(24)18(11-12-28(2,25)26)22-19(23)16-9-5-6-10-17(16)21/h3-10,18H,11-13H2,1-2H3,(H,22,23)/t18-/m0/s1