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

Systemtic Name: [1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [1-methyl-2-oxo-2-(1-phenylethylamino)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid [1-oxo-1-(1-phenylethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid [2-keto-1-methyl-2-(1-phenylethylamino)ethyl] ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C22H27N3O6S/c1-15(18-7-5-4-6-8-18)24-22(28)16(2)31-21(27)13-14-23-32(29,30)20-11-9-19(10-12-20)25-17(3)26/h4-12,15-16,23H,13-14H2,1-3H3,(H,24,28)(H,25,26)