[2-oxidanylidene-2-(1-phenylbutylamino)ethyl] 2-methylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(1-phenylbutylamino)ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-oxo-2-(1-phenylbutylamino)ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-oxo-2-(1-phenylbutylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylbutylamino)ethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-keto-2-(1-phenylbutylamino)ethyl] ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C20H23NO5S/c1-3-9-17(15-10-5-4-6-11-15)21-19(22)14-26-20(23)16-12-7-8-13-18(16)27(2,24)25/h4-8,10-13,17H,3,9,14H2,1-2H3,(H,21,22)