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

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-methylsulfonylbenzoate Traditional Name: 3-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(=C1)C(=O)OCC(=O)NCCCC2=CC=CC=C2

Isomeric SMILES

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

InChI

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