[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C17H26N2O5S MolecularWeight: 370.46374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)C(=O)OCC(=O)NC1=CC=CC(=C1C)C

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NC1=CC=CC(=C1C)C

InChI

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