[2-[1-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-[1-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-[1-(3-chlorophenyl)ethylamino]-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-[1-(3-chlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C18H18ClNO5S MolecularWeight: 395.85722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)Cl)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC(C1=CC(=CC=C1)Cl)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C18H18ClNO5S/c1-12(13-5-3-7-15(19)9-13)20-17(21)11-25-18(22)14-6-4-8-16(10-14)26(2,23)24/h3-10,12H,11H2,1-2H3,(H,20,21)