[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C20H21NO5S/c1-27(24,25)13-14-6-5-9-16(12-14)20(23)26-18(15-7-3-2-4-8-15)19(22)21-17-10-11-17/h2-9,12,17-18H,10-11,13H2,1H3,(H,21,22)