[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl] ester Formula: C16H13BrClNO5S MolecularWeight: 446.70012

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H13BrClNO5S/c1-25(22,23)12-6-7-13(18)14(8-12)19-15(20)9-24-16(21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3,(H,19,20)