ethyl 2-[[4-(bromomethyl)phenyl]sulfonyl-(2-ethoxy-2-oxidanylidene-ethyl)amino]-4-methyl-pentanoate

Systemtic Name: ethyl 2-[[4-(bromomethyl)phenyl]sulfonyl-(2-ethoxy-2-oxidanylidene-ethyl)amino]-4-methyl-pentanoate Openeye Name: ethyl 2-[[4-(bromomethyl)phenyl]sulfonyl-(2-ethoxy-2-oxo-ethyl)amino]-4-methyl-pentanoate CAS Name: 2-[[4-(bromomethyl)phenyl]sulfonyl-(2-ethoxy-2-oxoethyl)amino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(bromomethyl)phenyl]sulfonyl-(2-ethoxy-2-oxoethyl)amino]-4-methylpentanoate Traditional Name: 2-[[4-(bromomethyl)phenyl]sulfonyl-(2-ethoxy-2-keto-ethyl)amino]-4-methyl-valeric acid ethyl ester Formula: C19H28BrNO6S MolecularWeight: 478.39772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C(CC(C)C)C(=O)OCC)S(=O)(=O)C1=CC=C(C=C1)CBr

Isomeric SMILES

CCOC(=O)CN(C(CC(C)C)C(=O)OCC)S(=O)(=O)C1=CC=C(C=C1)CBr

InChI

InChI=1S/C19H28BrNO6S/c1-5-26-18(22)13-21(17(11-14(3)4)19(23)27-6-2)28(24,25)16-9-7-15(12-20)8-10-16/h7-10,14,17H,5-6,11-13H2,1-4H3