[(2R)-1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl] 3-phenylpropanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl] 3-phenylpropanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [(2R)-1-oxo-1-[4-(1-piperidinylsulfonyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [(1R)-2-keto-1-methyl-2-(4-piperidinosulfonylanilino)ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)OC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)OC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O5S/c1-18(30-22(26)15-10-19-8-4-2-5-9-19)23(27)24-20-11-13-21(14-12-20)31(28,29)25-16-6-3-7-17-25/h2,4-5,8-9,11-14,18H,3,6-7,10,15-17H2,1H3,(H,24,27)/t18-/m1/s1