(4-methylphenyl) (3S,6S)-3-ethanoyl-6-methoxy-3-methyl-2-oxidanylidene-piperidine-1-sulfonate

Systemtic Name: (4-methylphenyl) (3S,6S)-3-ethanoyl-6-methoxy-3-methyl-2-oxidanylidene-piperidine-1-sulfonate Openeye Name: p-tolyl (3S,6S)-3-acetyl-6-methoxy-3-methyl-2-oxo-piperidine-1-sulfonate CAS Name: (3S,6S)-3-acetyl-6-methoxy-3-methyl-2-oxo-1-piperidinesulfonic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) (3S,6S)-3-acetyl-6-methoxy-3-methyl-2-oxopiperidine-1-sulfonate Traditional Name: (3S,6S)-3-acetyl-2-keto-6-methoxy-3-methyl-piperidine-1-sulfonic acid p-tolyl ester Formula: C16H21NO6S MolecularWeight: 355.40604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OS(=O)(=O)N2C(CCC(C2=O)(C)C(=O)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)OS(=O)(=O)N2[C@H](CC[C@@](C2=O)(C)C(=O)C)OC

InChI

InChI=1S/C16H21NO6S/c1-11-5-7-13(8-6-11)23-24(20,21)17-14(22-4)9-10-16(3,12(2)18)15(17)19/h5-8,14H,9-10H2,1-4H3/t14-,16-/m0/s1