ethyl 2-[[4-(bromomethyl)-3-chloranyl-phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoate

Systemtic Name: ethyl 2-[[4-(bromomethyl)-3-chloranyl-phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoate Openeye Name: ethyl 2-[[4-(bromomethyl)-3-chloro-phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoate CAS Name: 2-[[4-(bromomethyl)-3-chlorophenyl]sulfonyl-methylamino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(bromomethyl)-3-chlorophenyl]sulfonyl-methylamino]-4-methylpentanoate Traditional Name: 2-[[4-(bromomethyl)-3-chloro-phenyl]sulfonyl-methyl-amino]-4-methyl-valeric acid ethyl ester Formula: C16H23BrClNO4S MolecularWeight: 440.78012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23BrClNO4S/c1-5-23-16(20)15(8-11(2)3)19(4)24(21,22)13-7-6-12(10-17)14(18)9-13/h6-7,9,11,15H,5,8,10H2,1-4H3