[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl] 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid [2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid [2-(2,6-dimethylpiperidino)-2-keto-ethyl] ester Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C)C

Isomeric SMILES

CC1CCCC(N1C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C)C

InChI

InChI=1S/C21H30N2O6S/c1-15-7-8-18(30(26,27)22-9-11-28-12-10-22)13-19(15)21(25)29-14-20(24)23-16(2)5-4-6-17(23)3/h7-8,13,16-17H,4-6,9-12,14H2,1-3H3