[2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid [2-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid [2-keto-2-[(2-phenylacetyl)amino]ethyl] ester Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O7S/c1-15(25)23-17-7-9-18(10-8-17)32(29,30)22-12-11-21(28)31-14-20(27)24-19(26)13-16-5-3-2-4-6-16/h2-10,22H,11-14H2,1H3,(H,23,25)(H,24,26,27)