[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-[2-(2,4-dichlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C18H17Cl2NO5S MolecularWeight: 430.30228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17Cl2NO5S/c1-27(24,25)15-4-2-3-13(9-15)18(23)26-11-17(22)21-8-7-12-5-6-14(19)10-16(12)20/h2-6,9-10H,7-8,11H2,1H3,(H,21,22)