(6-chloranylpyridin-3-yl)methyl 2-[(2-bromophenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 2-[(2-bromophenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: (6-chloro-3-pyridyl)methyl 2-[(2-bromobenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: 2-[[(2-bromophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 2-[(2-bromobenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: 2-[(2-bromobenzoyl)amino]-4-mesyl-butyric acid (6-chloro-3-pyridyl)methyl ester Formula: C18H18BrClN2O5S MolecularWeight: 489.76792

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)OCC1=CN=C(C=C1)Cl)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)OCC1=CN=C(C=C1)Cl)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C18H18BrClN2O5S/c1-28(25,26)9-8-15(22-17(23)13-4-2-3-5-14(13)19)18(24)27-11-12-6-7-16(20)21-10-12/h2-7,10,15H,8-9,11H2,1H3,(H,22,23)