3-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoate

Systemtic Name: 3-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoate Openeye Name: 3-[2-(3-bromoanilino)-2-oxo-ethyl]sulfonylpropanoate CAS Name: 3-[2-(3-bromoanilino)-2-oxoethyl]sulfonylpropanoate IUPAC Name: 3-[2-(3-bromoanilino)-2-oxoethyl]sulfonylpropanoate Traditional Name: 3-[2-(3-bromoanilino)-2-keto-ethyl]sulfonylpropionate Formula: C11H11BrNO5S- MolecularWeight: 349.17774

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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)/p-1