[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: [2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate Openeye Name: [2-(N-cyclohexylanilino)-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-(N-cyclohexylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-cyclohexylanilino)-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid [2-(N-cyclohexylanilino)-2-keto-ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)C(=O)OCC(=O)N(C1CCCCC1)C2=CC=CC=C2

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N(C1CCCCC1)C2=CC=CC=C2

InChI

InChI=1S/C21H32N2O5S/c1-3-4-15-29(26,27)22-17(2)21(25)28-16-20(24)23(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5,7-8,11-12,17,19,22H,3-4,6,9-10,13-16H2,1-2H3/t17-/m0/s1