methyl 2-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]-2-methyl-pentanoate

Systemtic Name: methyl 2-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]-2-methyl-pentanoate Openeye Name: methyl 2-[(4-bromo-3-methyl-phenyl)sulfonylamino]-2-methyl-pentanoate CAS Name: 2-[(4-bromo-3-methylphenyl)sulfonylamino]-2-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-3-methylphenyl)sulfonylamino]-2-methylpentanoate Traditional Name: 2-[(4-bromo-3-methyl-phenyl)sulfonylamino]-2-methyl-valeric acid methyl ester Formula: C14H20BrNO4S MolecularWeight: 378.2819

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)OC)NS(=O)(=O)C1=CC(=C(C=C1)Br)C

Isomeric SMILES

CCCC(C)(C(=O)OC)NS(=O)(=O)C1=CC(=C(C=C1)Br)C

InChI

InChI=1S/C14H20BrNO4S/c1-5-8-14(3,13(17)20-4)16-21(18,19)11-6-7-12(15)10(2)9-11/h6-7,9,16H,5,8H2,1-4H3