[2-oxidanylidene-2-(phenethylamino)ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C18H18ClNO5S MolecularWeight: 395.85722

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C18H18ClNO5S/c1-26(23,24)14-7-8-16(19)15(11-14)18(22)25-12-17(21)20-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,20,21)