(3,3-dimethyl-2-oxidanylidene-butyl) 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H25NO5S/c1-18(2,3)16(20)13-24-17(21)14-8-7-9-15(12-14)25(22,23)19-10-5-4-6-11-19/h7-9,12H,4-6,10-11,13H2,1-3H3