[2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-[2-(4-chlorophenyl)ethylamino]-2-keto-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)C(=O)OCC(=O)NCCC2=CC=C(C=C2)Cl

Isomeric SMILES

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

InChI

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