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

Systemtic Name: ethyl 2-[[4-(bromomethyl)phenyl]sulfonyl-ethoxycarbonyl-amino]-4-methyl-pentanoate Openeye Name: ethyl 2-[[4-(bromomethyl)phenyl]sulfonyl-ethoxycarbonyl-amino]-4-methyl-pentanoate CAS Name: 2-[[4-(bromomethyl)phenyl]sulfonyl-ethoxycarbonylamino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(bromomethyl)phenyl]sulfonyl-ethoxycarbonylamino]-4-methylpentanoate Traditional Name: 2-[[4-(bromomethyl)phenyl]sulfonyl-carbethoxy-amino]-4-methyl-valeric acid ethyl ester Formula: C18H26BrNO6S MolecularWeight: 464.37114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26BrNO6S/c1-5-25-17(21)16(11-13(3)4)20(18(22)26-6-2)27(23,24)15-9-7-14(12-19)8-10-15/h7-10,13,16H,5-6,11-12H2,1-4H3