[2-oxidanylidene-2-(2-phenylpropylamino)ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylpropylamino)ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-oxo-2-(2-phenylpropylamino)ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-oxo-2-(2-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylpropylamino)ethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-keto-2-(2-phenylpropylamino)ethyl] ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)C)C2=CC=CC=C2

Isomeric SMILES

CC(CNC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)C)C2=CC=CC=C2

InChI

InChI=1S/C19H21NO5S/c1-14(15-6-4-3-5-7-15)12-20-18(21)13-25-19(22)16-8-10-17(11-9-16)26(2,23)24/h3-11,14H,12-13H2,1-2H3,(H,20,21)