[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: [2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate Openeye Name: [2-(4-chloroanilino)-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-(4-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloroanilino)-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid [2-(4-chloroanilino)-2-keto-ethyl] ester Formula: C15H21ClN2O5S MolecularWeight: 376.85564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN2O5S/c1-3-4-9-24(21,22)18-11(2)15(20)23-10-14(19)17-13-7-5-12(16)6-8-13/h5-8,11,18H,3-4,9-10H2,1-2H3,(H,17,19)/t11-/m0/s1