[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-(4-bromoanilino)-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)C(=O)OCC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2=CC=C(C=C2)Br

InChI

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