[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-methylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)NCCCSC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)NCCCSC2=CC=CC=C2

InChI

InChI=1S/C19H21NO5S2/c1-27(23,24)17-11-6-5-10-16(17)19(22)25-14-18(21)20-12-7-13-26-15-8-3-2-4-9-15/h2-6,8-11H,7,12-14H2,1H3,(H,20,21)