(3,3-dimethyl-2-oxidanylidene-butyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H27NO5S MolecularWeight: 381.48638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C(C)(C)C)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C(C)(C)C)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C19H27NO5S/c1-14-8-9-15(18(22)25-13-17(21)19(2,3)4)12-16(14)26(23,24)20-10-6-5-7-11-20/h8-9,12H,5-7,10-11,13H2,1-4H3