[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C17H13ClN2O5S MolecularWeight: 392.81352

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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=CC(=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN2O5S/c1-26(23,24)13-5-6-15(18)14(8-13)17(22)25-10-16(21)20-12-4-2-3-11(7-12)9-19/h2-8H,10H2,1H3,(H,20,21)