2-[[4-(2-methyl-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)sulfonyl-3-phenyl-butanoyl]amino]propanedioate

Systemtic Name: 2-[[4-(2-methyl-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)sulfonyl-3-phenyl-butanoyl]amino]propanedioate Openeye Name: 2-[[4-(1,1-dimethyl-2-morpholino-2-oxo-ethyl)sulfonyl-3-phenyl-butanoyl]amino]propanedioate CAS Name: 2-[[4-[2-methyl-1-(4-morpholinyl)-1-oxopropan-2-yl]sulfonyl-1-oxo-3-phenylbutyl]amino]propanedioate IUPAC Name: 2-[[4-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)sulfonyl-3-phenylbutanoyl]amino]propanedioate Traditional Name: 2-[[4-(2-keto-1,1-dimethyl-2-morpholino-ethyl)sulfonyl-3-phenyl-butanoyl]amino]malonate Formula: C21H26N2O9S-2 MolecularWeight: 482.50414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCOCC1)S(=O)(=O)CC(CC(=O)NC(C(=O)[O-])C(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC(C)(C(=O)N1CCOCC1)S(=O)(=O)CC(CC(=O)NC(C(=O)[O-])C(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C21H28N2O9S/c1-21(2,20(29)23-8-10-32-11-9-23)33(30,31)13-15(14-6-4-3-5-7-14)12-16(24)22-17(18(25)26)19(27)28/h3-7,15,17H,8-13H2,1-2H3,(H,22,24)(H,25,26)(H,27,28)/p-2