[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NCCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C20H23NO5S/c1-15-10-11-17(27(2,24)25)13-18(15)20(23)26-14-19(22)21-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,21,22)