[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] (2S)-2-(butylsulfonylamino)propanoate Openeye Name: [2-oxo-2-[4-(1-piperidyl)anilino]ethyl] (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid [2-keto-2-(4-piperidinoanilino)ethyl] ester Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)C(=O)OCC(=O)NC1=CC=C(C=C1)N2CCCCC2

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NC1=CC=C(C=C1)N2CCCCC2

InChI

InChI=1S/C20H31N3O5S/c1-3-4-14-29(26,27)22-16(2)20(25)28-15-19(24)21-17-8-10-18(11-9-17)23-12-6-5-7-13-23/h8-11,16,22H,3-7,12-15H2,1-2H3,(H,21,24)/t16-/m0/s1