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

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C16H23ClN2O6S MolecularWeight: 406.88162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN2O6S/c1-4-5-8-26(22,23)19-11(2)16(21)25-10-15(20)18-12-6-7-14(24-3)13(17)9-12/h6-7,9,11,19H,4-5,8,10H2,1-3H3,(H,18,20)/t11-/m0/s1