[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-(3-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid [2-(3-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C16H23ClN2O5S MolecularWeight: 390.88222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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