[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-[(3R)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-keto-2-[(3R)-3-methylpiperidino]ethyl] ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C[C@@H]1CCCN(C1)C(=O)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H28N2O6S/c1-15-4-3-7-21(13-15)19(23)14-28-20(24)17-6-5-16(2)18(12-17)29(25,26)22-8-10-27-11-9-22/h5-6,12,15H,3-4,7-11,13-14H2,1-2H3/t15-/m1/s1