[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate Openeye Name: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-(3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid [2-(3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C16H23ClN2O5S MolecularWeight: 390.88222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN2O5S/c1-4-5-9-25(22,23)19-12(3)16(21)24-10-15(20)18-14-8-6-7-13(17)11(14)2/h6-8,12,19H,4-5,9-10H2,1-3H3,(H,18,20)/t12-/m0/s1