[1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [1-methyl-2-oxo-2-(1-phenylethylamino)ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [1-oxo-1-(1-phenylethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-keto-1-methyl-2-(1-phenylethylamino)ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC(C)C(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC(C)C(=O)NC(C)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O5S/c1-15-9-11-19(12-10-15)29(26,27)22-14-13-20(24)28-17(3)21(25)23-16(2)18-7-5-4-6-8-18/h4-12,16-17,22H,13-14H2,1-3H3,(H,23,25)