[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H30N2O6S/c1-18(2)23(26-24(29)20-9-5-3-6-10-20)25(30)33-17-22(28)19-11-13-21(14-12-19)34(31,32)27-15-7-4-8-16-27/h3,5-6,9-14,18,23H,4,7-8,15-17H2,1-2H3,(H,26,29)/t23-/m0/s1