(2-oxidanylidene-2-phenylazanyl-ethyl) 3-[(4-tert-butylphenyl)sulfonylamino]propanoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 3-[(4-tert-butylphenyl)sulfonylamino]propanoate Openeye Name: (2-anilino-2-oxo-ethyl) 3-[(4-tert-butylphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-tert-butylphenyl)sulfonylamino]propanoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 3-[(4-tert-butylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-tert-butylphenyl)sulfonylamino]propionic acid (2-anilino-2-keto-ethyl) ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=CC=CC=C2

InChI

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