(3,3-dimethyl-2-oxidanylidene-butyl) 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(2S)-2-methylpiperidino]sulfonylbenzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H27NO5S MolecularWeight: 381.48638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C19H27NO5S/c1-14-7-5-6-12-20(14)26(23,24)16-10-8-15(9-11-16)18(22)25-13-17(21)19(2,3)4/h8-11,14H,5-7,12-13H2,1-4H3/t14-/m0/s1