[2-[(3-methyl-1-phenyl-butyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-[(3-methyl-1-phenyl-butyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-[(3-methyl-1-phenyl-butyl)amino]-2-oxo-ethyl] 2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]propanoic acid [2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 2-(tosylamino)propionic acid [2-keto-2-[(3-methyl-1-phenyl-butyl)amino]ethyl] ester Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5S/c1-16(2)14-21(19-8-6-5-7-9-19)24-22(26)15-30-23(27)18(4)25-31(28,29)20-12-10-17(3)11-13-20/h5-13,16,18,21,25H,14-15H2,1-4H3,(H,24,26)