(3,3-dimethyl-2-oxidanylidene-butyl) 4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-bromo-3-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-bromo-3-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-bromo-3-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-bromo-3-(4-methylpiperidino)sulfonyl-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H26BrNO5S MolecularWeight: 460.38244

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C(C)(C)C)Br

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C(C)(C)C)Br

InChI

InChI=1S/C19H26BrNO5S/c1-13-7-9-21(10-8-13)27(24,25)16-11-14(5-6-15(16)20)18(23)26-12-17(22)19(2,3)4/h5-6,11,13H,7-10,12H2,1-4H3