[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-(2-methoxy-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid [2-keto-2-(2-methoxy-5-methyl-anilino)ethyl] ester Formula: C17H26N2O6S MolecularWeight: 386.46314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O6S/c1-5-6-9-26(22,23)19-13(3)17(21)25-11-16(20)18-14-10-12(2)7-8-15(14)24-4/h7-8,10,13,19H,5-6,9,11H2,1-4H3,(H,18,20)/t13-/m0/s1