3-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoic acid

Systemtic Name: 3-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoic acid Openeye Name: 3-[2-(3-bromoanilino)-2-oxo-ethyl]sulfonylpropanoic acid CAS Name: 3-[2-(3-bromoanilino)-2-oxoethyl]sulfonylpropanoic acid IUPAC Name: 3-[2-(3-bromoanilino)-2-oxoethyl]sulfonylpropanoic acid Traditional Name: 3-[2-(3-bromoanilino)-2-keto-ethyl]sulfonylpropionic acid Formula: C11H12BrNO5S MolecularWeight: 350.18568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC(=O)CS(=O)(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=O)CS(=O)(=O)CCC(=O)O

InChI

InChI=1S/C11H12BrNO5S/c12-8-2-1-3-9(6-8)13-10(14)7-19(17,18)5-4-11(15)16/h1-3,6H,4-5,7H2,(H,13,14)(H,15,16)