[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C17H26N2O5S MolecularWeight: 370.46374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O5S/c1-5-6-9-25(22,23)19-14(4)17(21)24-11-16(20)18-15-10-12(2)7-8-13(15)3/h7-8,10,14,19H,5-6,9,11H2,1-4H3,(H,18,20)/t14-/m0/s1