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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-[(4-tert-butylphenyl)sulfonylamino]propanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 3-[(4-tert-butylphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-tert-butylphenyl)sulfonylamino]propanoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 3-[(4-tert-butylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-tert-butylphenyl)sulfonylamino]propionic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C18H28N2O5S MolecularWeight: 384.49032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CC(C)NC(=O)COC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C18H28N2O5S/c1-13(2)20-16(21)12-25-17(22)10-11-19-26(23,24)15-8-6-14(7-9-15)18(3,4)5/h6-9,13,19H,10-12H2,1-5H3,(H,20,21)