[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C24H29ClN2O5S MolecularWeight: 493.01546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(C)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)[C@H](C)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C24H29ClN2O5S/c1-17(19-9-5-3-6-10-19)16-26-23(28)18(2)32-24(29)20-11-12-21(25)22(15-20)33(30,31)27-13-7-4-8-14-27/h3,5-6,9-12,15,17-18H,4,7-8,13-14,16H2,1-2H3,(H,26,28)/t17-,18+/m1/s1