[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate

Systemtic Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-[1-(4-bromophenyl)ethylamino]-2-keto-ethyl] ester Formula: C18H18BrNO5S MolecularWeight: 440.30822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C18H18BrNO5S/c1-12(13-7-9-14(19)10-8-13)20-17(21)11-25-18(22)15-5-3-4-6-16(15)26(2,23)24/h3-10,12H,11H2,1-2H3,(H,20,21)