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

Systemtic Name: [2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [2-[benzyl(phenethyl)amino]-2-oxo-ethyl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(phenethyl)amino]-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [2-[benzyl(phenethyl)amino]-2-keto-ethyl] ester Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)OCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)OCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C26H27NO5S/c1-33(30,31)20-23-12-14-24(15-13-23)26(29)32-19-25(28)27(18-22-10-6-3-7-11-22)17-16-21-8-4-2-5-9-21/h2-15H,16-20H2,1H3