[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] (2S)-2-(butylsulfonylamino)propanoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)C(=O)OCC(=O)N1CCC(CC1)CC2=CC=CC=C2

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N1CCC(CC1)CC2=CC=CC=C2

InChI

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