[2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-[(1-methyl-3-phenyl-propyl)amino]-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-keto-2-[(1-methyl-3-phenyl-propyl)amino]ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NC(C)CCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NC(C)CCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO5S/c1-15-9-12-18(28(3,25)26)13-19(15)21(24)27-14-20(23)22-16(2)10-11-17-7-5-4-6-8-17/h4-9,12-13,16H,10-11,14H2,1-3H3,(H,22,23)