5-azanyl-2-[(5-bromanyl-2-methyl-phenyl)sulfonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[(5-bromanyl-2-methyl-phenyl)sulfonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[(5-bromo-2-methyl-phenyl)sulfonylamino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[(5-bromo-2-methylphenyl)sulfonylamino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[(5-bromo-2-methylphenyl)sulfonylamino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[(5-bromo-2-methyl-phenyl)sulfonylamino]-5-keto-valeric acid Formula: C12H15BrN2O5S MolecularWeight: 379.2269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)S(=O)(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Br)S(=O)(=O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C12H15BrN2O5S/c1-7-2-3-8(13)6-10(7)21(19,20)15-9(12(17)18)4-5-11(14)16/h2-3,6,9,15H,4-5H2,1H3,(H2,14,16)(H,17,18)