2-bromanyl-5-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[2-(isobutylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 2-bromo-5-[2-(2-methylpropylamino)-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 2-bromo-5-[2-(2-methylpropylamino)-2-oxoethyl]sulfonylbenzoic acid Traditional Name: 2-bromo-5-[2-(isobutylamino)-2-keto-ethyl]sulfonyl-benzoic acid Formula: C13H16BrNO5S MolecularWeight: 378.23884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)CS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C13H16BrNO5S/c1-8(2)6-15-12(16)7-21(19,20)9-3-4-11(14)10(5-9)13(17)18/h3-5,8H,6-7H2,1-2H3,(H,15,16)(H,17,18)