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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC(CC(C)C)C(=O)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC(CC(C)C)C(=O)OC)Br

InChI

InChI=1S/C14H20BrNO4S/c1-9(2)7-13(14(17)20-4)16-21(18,19)11-5-6-12(15)10(3)8-11/h5-6,8-9,13,16H,7H2,1-4H3