[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]propanoic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-phenetylsulfonylamino)propionic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C18H28N2O6S MolecularWeight: 400.48972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O6S/c1-4-6-14(3)20-17(21)13-26-18(22)11-12-19-27(23,24)16-9-7-15(8-10-16)25-5-2/h7-10,14,19H,4-6,11-13H2,1-3H3,(H,20,21)