[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 2-methylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-[benzyl(phenethyl)amino]-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(phenethyl)amino]-2-oxoethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-[benzyl(phenethyl)amino]-2-keto-ethyl] ester Formula: C25H25NO5S MolecularWeight: 451.5347

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C25H25NO5S/c1-32(29,30)23-15-9-8-14-22(23)25(28)31-19-24(27)26(18-21-12-6-3-7-13-21)17-16-20-10-4-2-5-11-20/h2-15H,16-19H2,1H3