[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C21H30N2O6S MolecularWeight: 438.5377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C)C

InChI

InChI=1S/C21H30N2O6S/c1-15-10-16(2)13-22(12-15)20(24)14-29-21(25)19-11-18(5-4-17(19)3)30(26,27)23-6-8-28-9-7-23/h4-5,11,15-16H,6-10,12-14H2,1-3H3