[(2R)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: [(2R)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(butylsulfonylamino)propanoate Openeye Name: [(1R)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid [(1R)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H28N2O5S MolecularWeight: 384.49032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)C(=O)OC(C)C(=O)NC1=CC=C(C=C1)CC

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NC1=CC=C(C=C1)CC

InChI

InChI=1S/C18H28N2O5S/c1-5-7-12-26(23,24)20-13(3)18(22)25-14(4)17(21)19-16-10-8-15(6-2)9-11-16/h8-11,13-14,20H,5-7,12H2,1-4H3,(H,19,21)/t13-,14+/m0/s1