[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propanoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propionic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C18H28N2O5S MolecularWeight: 384.49032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O5S/c1-5-15(6-2)20-17(21)12-25-18(22)9-10-19-26(23,24)16-11-13(3)7-8-14(16)4/h7-8,11,15,19H,5-6,9-10,12H2,1-4H3,(H,20,21)