[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-bromanylbenzenesulfonate

Systemtic Name: [2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-bromanylbenzenesulfonate Openeye Name: [2-(2-benzoyl-4-chloro-anilino)-2-oxo-ethyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [2-(2-benzoyl-4-chloro-anilino)-2-keto-ethyl] ester Formula: C21H15BrClNO5S MolecularWeight: 508.7695

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)COS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)COS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H15BrClNO5S/c22-15-6-9-17(10-7-15)30(27,28)29-13-20(25)24-19-11-8-16(23)12-18(19)21(26)14-4-2-1-3-5-14/h1-12H,13H2,(H,24,25)