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

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl (2S)-2-[(2-bromophenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl (2S)-2-[(2-bromobenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl (2S)-2-[(2-bromobenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-4-mesyl-butyric acid (2-methoxy-5-methyl-benzyl) ester Formula: C21H24BrNO6S MolecularWeight: 498.38736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)COC(=O)C(CCS(=O)(=O)C)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC)COC(=O)[C@H](CCS(=O)(=O)C)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C21H24BrNO6S/c1-14-8-9-19(28-2)15(12-14)13-29-21(25)18(10-11-30(3,26)27)23-20(24)16-6-4-5-7-17(16)22/h4-9,12,18H,10-11,13H2,1-3H3,(H,23,24)/t18-/m0/s1