[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-benzoate

Systemtic Name: [2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-benzoate Openeye Name: [2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl] 5-morpholinosulfonyl-2-(1-piperidyl)benzoate CAS Name: 5-(4-morpholinylsulfonyl)-2-(1-piperidinyl)benzoic acid [2-[(3R)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate Traditional Name: 5-morpholinosulfonyl-2-piperidino-benzoic acid [2-keto-2-[(3R)-3-methylpiperidino]ethyl] ester Formula: C24H35N3O6S MolecularWeight: 493.6162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCC4

Isomeric SMILES

C[C@@H]1CCCN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCC4

InChI

InChI=1S/C24H35N3O6S/c1-19-6-5-11-26(17-19)23(28)18-33-24(29)21-16-20(34(30,31)27-12-14-32-15-13-27)7-8-22(21)25-9-3-2-4-10-25/h7-8,16,19H,2-6,9-15,17-18H2,1H3/t19-/m1/s1