(3,3-dimethyl-2-oxidanylidene-butyl) 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H29NO5S MolecularWeight: 395.51296

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C)C

InChI

InChI=1S/C20H29NO5S/c1-14-10-15(2)12-21(11-14)27(24,25)17-8-6-16(7-9-17)19(23)26-13-18(22)20(3,4)5/h6-9,14-15H,10-13H2,1-5H3