[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H19NO5S/c1-25(22,23)13-15-7-9-16(10-8-15)18(21)24-12-17(20)19-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,19,20)