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

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)NCCCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C19H21NO5S/c1-26(23,24)17-12-6-5-11-16(17)19(22)25-14-18(21)20-13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12H,7,10,13-14H2,1H3,(H,20,21)